Organoheterocyclic compounds
2,6-Difluoropyridine-3-boronic acid, 95%, Thermo Scientific™
CAS: 136466-94-9 Molecular Formula: C5H4BF2NO2 Molecular Weight (g/mol): 158.899 MDL Number: MFCD03788245 InChI Key: LCCZTROJRJFXNV-UHFFFAOYSA-N Synonym: 2,6-difluoropyridine-3-boronic acid,2,6-difluoropyridin-3-yl boronic acid,2,6-difluoro-3-pyridineboronic acid,2,6-difluoropyridin-3-yl-3-boronic acid,2,6-difluoropyridine-3-boronicacid,2,6-difluoropyridin-3-ylboronicacid,2,6-difluoro-3-pyridyl boronic acid,2,6-difluoro-3-pyridylboronic acid,boronic acid, 2,6-difluoro-3-pyridinyl,2,6-difluoro-3-pyridinyl boronic acid PubChem CID: 2762713 IUPAC Name: (2,6-difluoropyridin-3-yl)boronic acid SMILES: B(C1=C(N=C(C=C1)F)F)(O)O
2,2'-Bithiophene, 97%
CAS: 492-97-7 Molecular Formula: C8H6S2 Molecular Weight (g/mol): 166.27 MDL Number: MFCD00005414 InChI Key: OHZAHWOAMVVGEL-UHFFFAOYSA-N Synonym: 2,2'-bithiophene,2,2'-bithienyl,dithienyl,bithiophene,2,2'-dithienyl,2,2' bithiophenyl,2,2-bithiophene,2,2'-dithiophene,alpha-bithiophene,2-2-thienyl thiophene PubChem CID: 68120 ChEBI: CHEBI:36821 IUPAC Name: 2-thiophen-2-ylthiophene SMILES: C1=CSC(=C1)C2=CC=CS2
n-(1,3-benzodioxol-5-ylmethyl)-n-methylamine, 97%, Thermo Scientific™
CAS: 15205-27-3 Molecular Formula: C9H12NO2 Molecular Weight (g/mol): 166.20 MDL Number: MFCD04496422 InChI Key: CEPGPPSMCRKGFJ-UHFFFAOYSA-O Synonym: n-1,3-benzodioxol-5-ylmethyl-n-methylamine,1-1,3-benzodioxol-5-yl-n-methylmethanamine,2h-1,3-benzodioxol-5-ylmethyl methyl amine,n-methyl-3,4-methylenedioxy benzylamine,1,3-benzodioxole-5-methanamine,n-methyl,1,3-benzodioxole-5-methanamine, n-methyl,2h-1,3-benzodioxol-5-yl methyl methyl amine,1,3-benzodioxol-5-ylmethyl methylaminehydrochloride,n-methylpiperonylamine,3,4-methylenedioxy-n-methylbenzylamine PubChem CID: 421238 SMILES: C[NH2+]CC1=CC=C2OCOC2=C1
2-(2-Bromoethyl)-1,3-dioxane, 98%
CAS: 33884-43-4 Molecular Formula: C6H11BrO2 Molecular Weight (g/mol): 195.06 MDL Number: MFCD00006567 InChI Key: KXMZOKKPQZRPRN-UHFFFAOYNA-N Synonym: 2-2-bromoethyl-1,3-dioxane,1,3-dioxane, 2-2-bromoethyl,3-bromopropionaldehyde trimethylene acetal,2 2-bromoethyl-1,3-dioxane,2-2-bromoethyl-1,3 dioxane,bromoethyl-1,3-dioxane,acmc-209i3o,2-2-bromoetyl 1,3-dioxane,wmdhqehpovoeog-uhfffaoysa,2-2-bromoethyl 1,3-dioxane PubChem CID: 520656 SMILES: CC(Br)C1OCCCO1
5-Fluorocytosine, 98+%
CAS: 2022-85-7 Molecular Formula: C4H4FN3O Molecular Weight (g/mol): 129.09 MDL Number: MFCD00006035,MFCD00179326,MFCD03547958 InChI Key: XRECTZIEBJDKEO-UHFFFAOYSA-N Synonym: 5-fluorocytosine,flucytosine,ancotil,ancobon,flucytosin,5-fluorocystosine,fluocytosine,5-fc,5-fluorocytosin,fluorcytosine PubChem CID: 3366 ChEBI: CHEBI:5100 SMILES: NC1=C(F)C=NC(=O)N1
4-Pyridineacetonitrile, ≥97%, Thermo Scientific Chemicals
CAS: 13121-99-8 Molecular Formula: C7H6N2 Molecular Weight (g/mol): 118.14 MDL Number: MFCD03412601 InChI Key: BMVSAKPRNWZCPG-UHFFFAOYSA-N Synonym: pyridin-4-yl-acetonitrile,2-pyridin-4-yl acetonitrile,4-pyridylacetonitrile,4-pyridineacetonitrile,pyridin-4-ylacetonitrile,pyridine-4-acetonitrile,rarechem ak ml 0204,2-4-pyridyl acetonitrile,4-pyridylacetonitrilehydrochloride,4-cyanomethyl-pyridine PubChem CID: 4112085 IUPAC Name: 2-pyridin-4-ylacetonitrile SMILES: N#CCC1=CC=NC=C1
Thiophene-2,5-diboronic acid bis(pinacol) ester, 97%
CAS: 175361-81-6 Molecular Formula: C16H26B2O4S Molecular Weight (g/mol): 336.06 MDL Number: MFCD09800563 InChI Key: AOJXAKMKFDBHHT-UHFFFAOYSA-N Synonym: 2,5-bis-thiopheneboronic acid pinacol ester,2,5-bis 4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl thiophene,thiophene-2,5-diboronic acid bis pinacol ester,thiophene-2,5-diboronicacidbis pinacol ester,bis 4,4,5,5-tetramethyl-1,3-dioxaborolane-2,5-thiophene,2,5-bis 4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl thiophene,2,2'-thiene-2,5-diyl bis 4,4,5,5-tetramethyl-1,3,2-dioxaborolane,4,4,5,5-tetramethyl-2-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl thiophen-2-yl-1,3,2-dioxaborolane,4,4,5,5-tetramethyl-2-5-tetramethyl-1,3,2-dioxaborolan-2-yl thiophen-2-yl-1,3,2-dioxaborolane PubChem CID: 23058061 IUPAC Name: 4,4,5,5-tetramethyl-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]-1,3,2-dioxaborolane SMILES: CC1(C)OB(OC1(C)C)C1=CC=C(S1)B1OC(C)(C)C(C)(C)O1
5-Bromo-2-fluoropyridine, 98%
CAS: 766-11-0 Molecular Formula: C5H3BrFN Molecular Weight (g/mol): 175.988 MDL Number: MFCD01863742 InChI Key: MYUQKYGWKHTRPG-UHFFFAOYSA-N Synonym: 2-fluoro-5-bromopyridine,3-bromo-6-fluoropyridine,5-bromo-2-fluoro pyridine,5-bromo-2-fluoro-pyridine,pyridine, 5-bromo-2-fluoro,2-fluoro-5-bromo pyridine,pubchem3550,2-fluro-5-bromo-pyridine,acmc-209p4s,bromo-2-fluoropyridine, 5 PubChem CID: 2783168 IUPAC Name: 5-bromo-2-fluoropyridine SMILES: C1=CC(=NC=C1Br)F
1-Ethyl-3-methylimidazolium iodide, 97%
CAS: 35935-34-3 Molecular Formula: C6H11IN2 Molecular Weight (g/mol): 238.07 MDL Number: MFCD03701101 InChI Key: IKQCDTXBZKMPBB-UHFFFAOYSA-M Synonym: 1-ethyl-3-methylimidazolium iodide,1-ethyl-3-methylimidazoliumiodide,1-ethyl-3-methyl-1h-imidazol-3-ium iodide,acmc-209ik2,dsstox_cid_29137,dsstox_rid_83356,dsstox_gsid_49281,ksc495i0n,1-ethyl-3-methyl imidazolium iodide salt PubChem CID: 11075478 IUPAC Name: 1-ethyl-3-methylimidazol-3-ium;iodide SMILES: [I-].CCN1C=C[N+](C)=C1
4-(2-Trifluoromethyl-benzoimidazol-1-yl)-butyric acid, ≥97%, Thermo Scientific™
CAS: 876728-42-6 Molecular Formula: C12H11F3N2O2 Molecular Weight (g/mol): 272.227 MDL Number: MFCD07397470 InChI Key: HQUSGKZLJZMIHU-UHFFFAOYSA-N Synonym: 4-2-trifluoromethyl-1h-benzimidazol-1-yl butanoic acid,4-2-trifluoromethyl-benzoimidazol-1-yl-butyric acid,4-2-trifluoromethyl benzimidazolyl butanoic acid,1h-benzimidazole-1-butanoicacid, 2-trifluoromethyl,4-2-trifluoromethyl benzimidazol-1-yl butanoic acid,4-2-trifluoromethyl-1,3-benzodiazol-1-yl butanoic acid,4-2-trifluoromethyl-1h-benzimidazol-1-yl-butanoic acid,4-2-trifluoromethyl-1-benzimidazolyl butanoic acid,4-2-trifluoromethyl-1h-benzo d imidazol-1-yl butanoic acid PubChem CID: 6494232 IUPAC Name: 4-[2-(trifluoromethyl)benzimidazol-1-yl]butanoic acid SMILES: C1=CC=C2C(=C1)N=C(N2CCCC(=O)O)C(F)(F)F
(R)-2-Aminomethyl-1-Boc-pyrrolidine, 97%
CAS: 259537-92-3 Molecular Formula: C10H20N2O2 Molecular Weight (g/mol): 200.282 MDL Number: MFCD03419256 InChI Key: SOGXYCNKQQJEED-MRVPVSSYSA-N Synonym: r-2-aminomethyl-1-n-boc-pyrrolidine,r-1-boc-2-aminomethyl pyrrolidine,r-tert-butyl 2-aminomethyl pyrrolidine-1-carboxylate,tert-butyl 2r-2-aminomethyl pyrrolidine-1-carboxylate,r-2-aminomethyl-1-boc-pyrrolidine,r-2-aminomethyl-pyrrolidine-1-carboxylic acid tert-butyl ester,r-2-aminomethyl-1-tert-butoxycarbonyl pyrrolidine,tert-butyl r-2-aminomethyl-1-pyrrolidinecarboxylate,r-2-aminomethyl-1-n-boc-pyyrolidine PubChem CID: 1512534 IUPAC Name: tert-butyl (2R)-2-(aminomethyl)pyrrolidine-1-carboxylate SMILES: CC(C)(C)OC(=O)N1CCCC1CN
Methyle5-methyl-3-isoxazolecarboxylate, 97%, Thermo Scientific™
CAS: 19788-35-3 Molecular Formula: C6H7NO3 Molecular Weight (g/mol): 141.13 MDL Number: MFCD00015895 InChI Key: MVHHQOCEOUNTID-UHFFFAOYSA-N Synonym: methyl 5-methylisoxazole-3-carboxylate,methyl 5-methyl-3-isoxazolecarboxylate,3-isoxazolecarboxylic acid, 5-methyl-, methyl ester,5-methyl-3-isoxazolecarboxylic acid methyl ester,methyl 5-methyl-3-isoxazole carboxylate,methyl-5-methyl-3-isoxazole carboxylate,5-methylisoxazole-3-carboxylic acid methyl ester,5-methyl-isoxazole-3-carboxylic acid methyl ester,acmc-209xf5,ksc489s1r PubChem CID: 88245 IUPAC Name: methyl 5-methyl-1,2-oxazole-3-carboxylate SMILES: COC(=O)C1=NOC(C)=C1
Thiophene-2-sulfonyl chloride, 97%
CAS: 16629-19-9 Molecular Formula: C4H3ClO2S2 Molecular Weight (g/mol): 182.64 MDL Number: MFCD00005426 InChI Key: VNNLHYZDXIBHKZ-UHFFFAOYSA-N Synonym: 2-thiophenesulfonyl chloride,2-thienylsulfonyl chloride,thiophene-2-sulphonyl chloride,2-thiophenesulfonylchloride,2-thienylsulfonylchloride,2-thiophene sulfonyl chloride,chloro-2-thienylsulfone,pubchem7737,acmc-209dtw,thiophenesulfonyl chloride PubChem CID: 85518 IUPAC Name: thiophene-2-sulfonyl chloride SMILES: ClS(=O)(=O)C1=CC=CS1
2-Chloropyrimidine-5-boronic acid pinacol ester, 95%
CAS: 1003845-08-6 Molecular Formula: C10H14BClN2O2 Molecular Weight (g/mol): 240.49 MDL Number: MFCD11856048 InChI Key: VLAPDEKXZLRRKV-UHFFFAOYSA-N Synonym: 2-chloro-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyrimidine,2-chloropyrimidine-5-boronic acid pinacol ester,2-chloro-5-tetramethyl-1,3,2-dioxaborolan-2-yl pyrimidine,2-chloropyrimidin-5-ylboronic acid pinacol ester,2-chloro-5-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl pyrimidine,2-chloropyrimidine-5-boronic acid, pinacol ester,2-chloropyrimidin-5-yl boronic acid pinacol ester,2-5-chloro-2-pyrimidyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,2-chloranyl-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyrimidine,pyrimidine, 2-chloro-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl PubChem CID: 51341943 IUPAC Name: 2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine SMILES: CC1(C)OB(OC1(C)C)C1=CN=C(Cl)N=C1
2-(1-Pyrrolidinyl)nicotinic acid, 95%, Thermo Scientific™
CAS: 690632-36-1 Molecular Formula: C10H12N2O2 Molecular Weight (g/mol): 192.22 MDL Number: MFCD05865128 InChI Key: DTUSJCJZQJAPGD-UHFFFAOYSA-N Synonym: 2-1-pyrrolidinyl nicotinic acid,2-pyrrolidin-1-yl pyridine-3-carboxylic acid,2-pyrrolidin-1-ylnicotinic acid,2-pyrrolidin-1-yl nicotinic acid,2-pyrrolidinylpyridine-3-carboxylic acid,2-1-pyrrolidinyl nicotinicacid,3-pyridinecarboxylic acid, 2-1-pyrrolidinyl PubChem CID: 2794739 SMILES: OC(=O)C1=C(N=CC=C1)N1CCCC1