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Benzyl Derivatives

Organic compounds that are derived from compounds that contain a benzene ring attached to a CH2 group, and have the following structure: C6H5CH2–.
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1

3,4,5-Tris(benzyloxy)benzyl Alcohol 98.0+%, TCI America™

CAS: 79831-88-2 Molecular Formula: C28H26O4 Molecular Weight (g/mol): 426.512 MDL Number: MFCD02093503 InChI Key: FWPHSYJOSSBILN-UHFFFAOYSA-N Synonym: 3,4,5-Tribenzyloxybenzyl Alcohol PubChem CID: 11407668 IUPAC Name: [3,4,5-tris(phenylmethoxy)phenyl]methanol SMILES: C1=CC=C(C=C1)COC2=CC(=CC(=C2OCC3=CC=CC=C3)OCC4=CC=CC=C4)CO

PubChem CID 11407668
CAS 79831-88-2
Molecular Weight (g/mol) 426.512
MDL Number MFCD02093503
SMILES C1=CC=C(C=C1)COC2=CC(=CC(=C2OCC3=CC=CC=C3)OCC4=CC=CC=C4)CO
Synonym 3,4,5-Tribenzyloxybenzyl Alcohol
IUPAC Name [3,4,5-tris(phenylmethoxy)phenyl]methanol
InChI Key FWPHSYJOSSBILN-UHFFFAOYSA-N
Molecular Formula C28H26O4
2

5-(tert-Butyldiphenylsilyloxy)-1,3-benzenedimethanol 98.0+%, TCI America™

CAS: 482627-84-9 Molecular Formula: C24H28O3Si Molecular Weight (g/mol): 392.57 InChI Key: TUGCKICZDBMMPM-UHFFFAOYSA-N Synonym: [3,5-Bis(hydroxymethyl)phenoxy]-tert-butyldiphenylsilane PubChem CID: 44629826 IUPAC Name: [3-[tert-butyl(diphenyl)silyl]oxy-5-(hydroxymethyl)phenyl]methanol SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC3=CC(=CC(=C3)CO)CO

PubChem CID 44629826
CAS 482627-84-9
Molecular Weight (g/mol) 392.57
SMILES CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC3=CC(=CC(=C3)CO)CO
Synonym [3,5-Bis(hydroxymethyl)phenoxy]-tert-butyldiphenylsilane
IUPAC Name [3-[tert-butyl(diphenyl)silyl]oxy-5-(hydroxymethyl)phenyl]methanol
InChI Key TUGCKICZDBMMPM-UHFFFAOYSA-N
Molecular Formula C24H28O3Si
3

2,3,4,6-Tetra-O-benzyl-beta-D-glucopyranosyl Fluoride 96.0+%, TCI America™

CAS: 78153-79-4 Molecular Formula: C34H35FO5 Molecular Weight (g/mol): 542.65 MDL Number: MFCD01862264 InChI Key: QNXIKNZDQVSBCO-UHFFFAOYNA-N PubChem CID: 10886059 IUPAC Name: 3,4,5-tris(benzyloxy)-2-[(benzyloxy)methyl]-6-fluorooxane SMILES: FC1OC(COCC2=CC=CC=C2)C(OCC2=CC=CC=C2)C(OCC2=CC=CC=C2)C1OCC1=CC=CC=C1

PubChem CID 10886059
CAS 78153-79-4
Molecular Weight (g/mol) 542.65
MDL Number MFCD01862264
SMILES FC1OC(COCC2=CC=CC=C2)C(OCC2=CC=CC=C2)C(OCC2=CC=CC=C2)C1OCC1=CC=CC=C1
IUPAC Name 3,4,5-tris(benzyloxy)-2-[(benzyloxy)methyl]-6-fluorooxane
InChI Key QNXIKNZDQVSBCO-UHFFFAOYNA-N
Molecular Formula C34H35FO5
4

Tri-O-benzyl-D-glucal 95.0+%, TCI America™

CAS: 55628-54-1 Molecular Formula: C27H28O4 Molecular Weight (g/mol): 416.517 MDL Number: MFCD00061640 InChI Key: MXYLLYBWXIUMIT-PFBJBMPXSA-N Synonym: 3,4,6-tri-o-benzyl-d-glucal,tri-o-benzyl-d-glucal,2r,3s,4r-3,4-bis benzyloxy-2-benzyloxy methyl-3,4-dihydro-2h-pyran,pubchem10548,1,5-anhydro-3,4,6-tri-o-benzyl-2-deoxy-d-arabinohex-1-enitol,1,5-anhydro-2-deoxy-d-arabino-hex-1-enitol 3,4,6-tribenzyl ether PubChem CID: 11742644 IUPAC Name: (2R,3S,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran SMILES: C1=CC=C(C=C1)COCC2C(C(C=CO2)OCC3=CC=CC=C3)OCC4=CC=CC=C4

PubChem CID 11742644
CAS 55628-54-1
Molecular Weight (g/mol) 416.517
MDL Number MFCD00061640
SMILES C1=CC=C(C=C1)COCC2C(C(C=CO2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
Synonym 3,4,6-tri-o-benzyl-d-glucal,tri-o-benzyl-d-glucal,2r,3s,4r-3,4-bis benzyloxy-2-benzyloxy methyl-3,4-dihydro-2h-pyran,pubchem10548,1,5-anhydro-3,4,6-tri-o-benzyl-2-deoxy-d-arabinohex-1-enitol,1,5-anhydro-2-deoxy-d-arabino-hex-1-enitol 3,4,6-tribenzyl ether
IUPAC Name (2R,3S,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran
InChI Key MXYLLYBWXIUMIT-PFBJBMPXSA-N
Molecular Formula C27H28O4
5

2,3,4,6-Tetra-O-benzyl-D-glucopyranosyl Fluoride 96.0+%, TCI America™

CAS: 122741-44-0 Molecular Formula: C34H35FO5 Molecular Weight (g/mol): 542.65 MDL Number: MFCD01862264 InChI Key: QNXIKNZDQVSBCO-UHFFFAOYNA-N PubChem CID: 133556312 IUPAC Name: 3,4,5-tris(benzyloxy)-2-[(benzyloxy)methyl]-6-fluorooxane SMILES: FC1OC(COCC2=CC=CC=C2)C(OCC2=CC=CC=C2)C(OCC2=CC=CC=C2)C1OCC1=CC=CC=C1

PubChem CID 133556312
CAS 122741-44-0
Molecular Weight (g/mol) 542.65
MDL Number MFCD01862264
SMILES FC1OC(COCC2=CC=CC=C2)C(OCC2=CC=CC=C2)C(OCC2=CC=CC=C2)C1OCC1=CC=CC=C1
IUPAC Name 3,4,5-tris(benzyloxy)-2-[(benzyloxy)methyl]-6-fluorooxane
InChI Key QNXIKNZDQVSBCO-UHFFFAOYNA-N
Molecular Formula C34H35FO5
6

1,6-Di-O-acetyl-2,3,4-tri-O-benzyl-alpha-D-mannopyranose 95.0+%, TCI America™

CAS: 65556-30-1 Molecular Formula: C31H34O8 Molecular Weight (g/mol): 534.605 InChI Key: IFCAMEQHKHEHBS-YOGXEWEVSA-N PubChem CID: 10840038 IUPAC Name: [(2R,3R,4S,5S,6R)-6-acetyloxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl acetate SMILES: CC(=O)OCC1C(C(C(C(O1)OC(=O)C)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4

PubChem CID 10840038
CAS 65556-30-1
Molecular Weight (g/mol) 534.605
SMILES CC(=O)OCC1C(C(C(C(O1)OC(=O)C)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
IUPAC Name [(2R,3R,4S,5S,6R)-6-acetyloxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl acetate
InChI Key IFCAMEQHKHEHBS-YOGXEWEVSA-N
Molecular Formula C31H34O8
7

3,5-Bis[3,5-bis(benzyloxy)benzyloxy]benzyl Bromide 97.0+%, TCI America™

CAS: 129536-41-0 Molecular Formula: C49H43BrO6 Molecular Weight (g/mol): 807.781 MDL Number: MFCD02093449 InChI Key: WEIQDYRDUFADRJ-UHFFFAOYSA-N Synonym: 3,5-Bis(3,5-dibenzyloxybenzyloxy)benzyl Bromide PubChem CID: 11967226 IUPAC Name: 1,3-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-5-(bromomethyl)benzene SMILES: C1=CC=C(C=C1)COC2=CC(=CC(=C2)COC3=CC(=CC(=C3)CBr)OCC4=CC(=CC(=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7

PubChem CID 11967226
CAS 129536-41-0
Molecular Weight (g/mol) 807.781
MDL Number MFCD02093449
SMILES C1=CC=C(C=C1)COC2=CC(=CC(=C2)COC3=CC(=CC(=C3)CBr)OCC4=CC(=CC(=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7
Synonym 3,5-Bis(3,5-dibenzyloxybenzyloxy)benzyl Bromide
IUPAC Name 1,3-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-5-(bromomethyl)benzene
InChI Key WEIQDYRDUFADRJ-UHFFFAOYSA-N
Molecular Formula C49H43BrO6
8

Benzyl alcohol, Solstice

CAS: 100-51-6 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 MDL Number: MFCD00004599,MFCD03792087 InChI Key: WVDDGKGOMKODPV-UHFFFAOYSA-N Synonym: benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol PubChem CID: 244 ChEBI: CHEBI:17987 IUPAC Name: phenylmethanol SMILES: OCC1=CC=CC=C1

PubChem CID 244
CAS 100-51-6
Molecular Weight (g/mol) 108.14
ChEBI CHEBI:17987
MDL Number MFCD00004599,MFCD03792087
SMILES OCC1=CC=CC=C1
Synonym benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol
IUPAC Name phenylmethanol
InChI Key WVDDGKGOMKODPV-UHFFFAOYSA-N
Molecular Formula C7H8O
9

3,5-Bis(3,5-dimethoxybenzyloxy)benzyl Bromide 97.0+%, TCI America™

CAS: 176650-93-4 Molecular Formula: C25H27BrO6 Molecular Weight (g/mol): 503.39 MDL Number: MFCD04038410 InChI Key: RLACLNXCSSBIKS-UHFFFAOYSA-N PubChem CID: 15778113 IUPAC Name: 1-{[3-(bromomethyl)-5-[(3,5-dimethoxyphenyl)methoxy]phenoxy]methyl}-3,5-dimethoxybenzene SMILES: COC1=CC(OC)=CC(COC2=CC(OCC3=CC(OC)=CC(OC)=C3)=CC(CBr)=C2)=C1

PubChem CID 15778113
CAS 176650-93-4
Molecular Weight (g/mol) 503.39
MDL Number MFCD04038410
SMILES COC1=CC(OC)=CC(COC2=CC(OCC3=CC(OC)=CC(OC)=C3)=CC(CBr)=C2)=C1
IUPAC Name 1-{[3-(bromomethyl)-5-[(3,5-dimethoxyphenyl)methoxy]phenoxy]methyl}-3,5-dimethoxybenzene
InChI Key RLACLNXCSSBIKS-UHFFFAOYSA-N
Molecular Formula C25H27BrO6
10

Salbutamol Hemisulfate 98.0+%, TCI America™

CAS: 51022-70-9 Molecular Formula: C13H23NO7S Molecular Weight (g/mol): 337.387 MDL Number: MFCD00055200 InChI Key: OVICLFZZVQVVFT-UHFFFAOYSA-N Synonym: salbutamol sulfate,albuterol sulfate,ventolin,ventorlin,4-2-tert-butylamino-1-hydroxyethyl-2-hydroxymethyl phenol sulfate,asthavent,albuterol sulfate 1:x,salbutamol; sulfuric acid,asmaven sulfate,2-tert-butylamino-1-4-hydroxy-3-hydroxymethylphenyl ethanol hemisulfate PubChem CID: 9884233 IUPAC Name: 4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol;sulfuric acid SMILES: CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O.OS(=O)(=O)O

PubChem CID 9884233
CAS 51022-70-9
Molecular Weight (g/mol) 337.387
MDL Number MFCD00055200
SMILES CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O.OS(=O)(=O)O
Synonym salbutamol sulfate,albuterol sulfate,ventolin,ventorlin,4-2-tert-butylamino-1-hydroxyethyl-2-hydroxymethyl phenol sulfate,asthavent,albuterol sulfate 1:x,salbutamol; sulfuric acid,asmaven sulfate,2-tert-butylamino-1-4-hydroxy-3-hydroxymethylphenyl ethanol hemisulfate
IUPAC Name 4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol;sulfuric acid
InChI Key OVICLFZZVQVVFT-UHFFFAOYSA-N
Molecular Formula C13H23NO7S
11

Bisoprolol Hemifumarate 98.0+%, TCI America™

CAS: 104344-23-2 Molecular Formula: C40H66N2O12 Molecular Weight (g/mol): 766.97 MDL Number: MFCD00792743,MFCD00792743,MFCD00792743,MFCD00865795 InChI Key: VMDFASMUILANOL-WXXKFALUNA-N Synonym: bisoprolol fumarate,1-4-2-isopropoxyethoxy methyl phenoxy-3-isopropylamino propan-2-ol fumarate,but-2-enedioic acid; 1-propan-2-ylamino-3-4-2-propan-2-yloxyethoxymethyl phenoxy-2-propanol,but-2-enedioic acid; 1-propan-2-ylamino-3-4-2-propan-2-yloxyethoxymethyl phenoxy propan-2-ol PubChem CID: 53394791 IUPAC Name: (2E)-but-2-enedioic acid; bis(1-[(propan-2-yl)amino]-3-(4-{[2-(propan-2-yloxy)ethoxy]methyl}phenoxy)propan-2-ol) SMILES: OC(=O)\C=C\C(O)=O.CC(C)NCC(O)COC1=CC=C(COCCOC(C)C)C=C1.CC(C)NCC(O)COC1=CC=C(COCCOC(C)C)C=C1

PubChem CID 53394791
CAS 104344-23-2
Molecular Weight (g/mol) 766.97
MDL Number MFCD00792743,MFCD00792743,MFCD00792743,MFCD00865795
SMILES OC(=O)\C=C\C(O)=O.CC(C)NCC(O)COC1=CC=C(COCCOC(C)C)C=C1.CC(C)NCC(O)COC1=CC=C(COCCOC(C)C)C=C1
Synonym bisoprolol fumarate,1-4-2-isopropoxyethoxy methyl phenoxy-3-isopropylamino propan-2-ol fumarate,but-2-enedioic acid; 1-propan-2-ylamino-3-4-2-propan-2-yloxyethoxymethyl phenoxy-2-propanol,but-2-enedioic acid; 1-propan-2-ylamino-3-4-2-propan-2-yloxyethoxymethyl phenoxy propan-2-ol
IUPAC Name (2E)-but-2-enedioic acid; bis(1-[(propan-2-yl)amino]-3-(4-{[2-(propan-2-yloxy)ethoxy]methyl}phenoxy)propan-2-ol)
InChI Key VMDFASMUILANOL-WXXKFALUNA-N
Molecular Formula C40H66N2O12
12

Carbinoxamine Maleate 98.0+%, TCI America™

CAS: 3505-38-2 Molecular Formula: C20H23ClN2O5 Molecular Weight (g/mol): 406.863 MDL Number: MFCD00082461 InChI Key: GVNWHCVWDRNXAZ-BTJKTKAUSA-N PubChem CID: 5282409 ChEBI: CHEBI:31353 IUPAC Name: (Z)-but-2-enedioic acid;2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine SMILES: CN(C)CCOC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2.C(=CC(=O)O)C(=O)O

PubChem CID 5282409
CAS 3505-38-2
Molecular Weight (g/mol) 406.863
ChEBI CHEBI:31353
MDL Number MFCD00082461
SMILES CN(C)CCOC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2.C(=CC(=O)O)C(=O)O
IUPAC Name (Z)-but-2-enedioic acid;2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine
InChI Key GVNWHCVWDRNXAZ-BTJKTKAUSA-N
Molecular Formula C20H23ClN2O5
13

N-(tert-Butoxycarbonyl)-O-benzyl-L-threonine 98.0+%, TCI America™

CAS: 15260-10-3 Molecular Formula: C16H23NO5 Molecular Weight (g/mol): 309.36 MDL Number: MFCD00066062 InChI Key: CTXPLTPDOISPTE-YPMHNXCESA-N Synonym: boc-thr bzl-oh,boc-o-benzyl-l-threonine,n-tert-butoxycarbonyl-o-benzyl-l-threonine,n-boc-o-benzyl-l-threonine,boc-thr bzl,o-benzyl-n-tert-butoxycarbonyl-l-threonine,n-1,1-dimethylethoxy carbonyl-o-phenylmethyl-l-threonine,l-threonine, n-1,1-dimethylethoxy carbonyl-o-phenylmethyl,2s,3r-2-2-methylpropan-2-yl oxycarbonylamino-3-phenylmethoxybutanoic acid PubChem CID: 1549483 IUPAC Name: (2S,3R)-3-(benzyloxy)-2-{[(tert-butoxy)carbonyl]amino}butanoic acid SMILES: C[C@@H](OCC1=CC=CC=C1)[C@H](NC(=O)OC(C)(C)C)C(O)=O

PubChem CID 1549483
CAS 15260-10-3
Molecular Weight (g/mol) 309.36
MDL Number MFCD00066062
SMILES C[C@@H](OCC1=CC=CC=C1)[C@H](NC(=O)OC(C)(C)C)C(O)=O
Synonym boc-thr bzl-oh,boc-o-benzyl-l-threonine,n-tert-butoxycarbonyl-o-benzyl-l-threonine,n-boc-o-benzyl-l-threonine,boc-thr bzl,o-benzyl-n-tert-butoxycarbonyl-l-threonine,n-1,1-dimethylethoxy carbonyl-o-phenylmethyl-l-threonine,l-threonine, n-1,1-dimethylethoxy carbonyl-o-phenylmethyl,2s,3r-2-2-methylpropan-2-yl oxycarbonylamino-3-phenylmethoxybutanoic acid
IUPAC Name (2S,3R)-3-(benzyloxy)-2-{[(tert-butoxy)carbonyl]amino}butanoic acid
InChI Key CTXPLTPDOISPTE-YPMHNXCESA-N
Molecular Formula C16H23NO5
14

Econazole Nitrate 98.0+%, TCI America™

CAS: 24169-02-6 Molecular Formula: C18H16Cl3N3O4 Molecular Weight (g/mol): 444.693 MDL Number: MFCD00058160 InChI Key: DDXORDQKGIZAME-UHFFFAOYSA-N Synonym: econazole nitrate,ifenec,epi-pevaryl,gyno-pevaryl,econazole nitrate salt,pevaryl,+--econazole nitrate,spectazole,econazolum nitrate,gyno-pevaryl 150 PubChem CID: 68589 IUPAC Name: 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid SMILES: C1=CC(=CC=C1COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl.[N+](=O)(O)[O-]

PubChem CID 68589
CAS 24169-02-6
Molecular Weight (g/mol) 444.693
MDL Number MFCD00058160
SMILES C1=CC(=CC=C1COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl.[N+](=O)(O)[O-]
Synonym econazole nitrate,ifenec,epi-pevaryl,gyno-pevaryl,econazole nitrate salt,pevaryl,+--econazole nitrate,spectazole,econazolum nitrate,gyno-pevaryl 150
IUPAC Name 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid
InChI Key DDXORDQKGIZAME-UHFFFAOYSA-N
Molecular Formula C18H16Cl3N3O4
15

Hexakis(bromomethyl)benzene 98.0+%, TCI America™

CAS: 3095-73-6 Molecular Formula: C12H12Br6 Molecular Weight (g/mol): 635.652 MDL Number: MFCD00182539 InChI Key: XJOUCILNLRXRTF-UHFFFAOYSA-N Synonym: hexakis bromomethyl benzene,hexa bromomethyl benzene,1,2,3,4,5,6-hexakis bromomethyl benzene,benzene, hexakis bromomethyl,acmc-1aijn,10.14272/xjoucilnlrxrtf-uhfffaoysa-n,benzene,1,2,3,4,5,6-hexakis bromomethyl,doi:10.14272/xjoucilnlrxrtf-uhfffaoysa-n PubChem CID: 76540 IUPAC Name: 1,2,3,4,5,6-hexakis(bromomethyl)benzene SMILES: C(C1=C(C(=C(C(=C1CBr)CBr)CBr)CBr)CBr)Br

PubChem CID 76540
CAS 3095-73-6
Molecular Weight (g/mol) 635.652
MDL Number MFCD00182539
SMILES C(C1=C(C(=C(C(=C1CBr)CBr)CBr)CBr)CBr)Br
Synonym hexakis bromomethyl benzene,hexa bromomethyl benzene,1,2,3,4,5,6-hexakis bromomethyl benzene,benzene, hexakis bromomethyl,acmc-1aijn,10.14272/xjoucilnlrxrtf-uhfffaoysa-n,benzene,1,2,3,4,5,6-hexakis bromomethyl,doi:10.14272/xjoucilnlrxrtf-uhfffaoysa-n
IUPAC Name 1,2,3,4,5,6-hexakis(bromomethyl)benzene
InChI Key XJOUCILNLRXRTF-UHFFFAOYSA-N
Molecular Formula C12H12Br6