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Metalloheterocyclic compounds

Organic compounds that contain one or more heterocycles that contain one metallic element; heterocycles are rings that contain atoms from two or more types of elements.
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1

9-Borabicyclo[3.3.1]nonane, 0.5M solution in THF, AcroSeal™

CAS: 280-64-8 | C8H15B | 122.02 g/mol

Molecular Weight (g/mol) 122.02
CAS Min % 92.49
Chemical Name or Material 9-Borabicyclo[3.3.1]nonane
SMILES [B]1C2CCCC1CCC2
InChI Key AMKGKYQBASDDJB-UHFFFAOYSA-N
Density 0.8840g/mL
PubChem CID 6327450
Fieser 02,31; 03,24; 04,41; 05,46; 06,62; 07,29; 08,47; 09,57; 10,48; 11,68; 13,92; 14,52; 15,43; 17,49; 01,732; 04,356
CAS 109-99-9
Health Hazard 3 GHS P Statement
Keep away from heat/sparks/open flames/hot surfaces.
- No smoking.
IF ON SKIN (or hair): Take off immediately all contaminated clothing.
Rinse skin with water/shower.
Handle under inert gas.
Protect from moisture
MDL Number MFCD00074742
Health Hazard 2 GHS H Statement
In contact with water releases flammable gases.
Highly flammable liquid and vapor.
Causes severe skin burns and eye damage.
May cause respiratory irritation.
Suspected of causing cancer.
May form explo
Solubility Information Solubility in water: reacts
Flash Point −17°C
Health Hazard 1 GHS Signal Word: Danger
Synonym 9-borabicyclo 3.3.1 nonane,9-borabicyclo 3.3.1 nonan,9-borabicyclo 3,3,1 nonane,9$l^ 2-borabicyclo 3.3.1 nonane,1s,5s-9-borabicyclo 3.3.1 nonane,monomer; 21205-91-4 dimer,9-borabicyclo 3.3.1 nonane,9-bbn,intetrahydrofuran
IUPAC Name 9$l^{2}-borabicyclo[3.3.1]nonane
Molecular Formula C8H15B
EINECS Number 206-000-9
Formula Weight 122.02
Specific Gravity 0.884
CAS Max % 93.86
2

1,2-Bis((2R,5R)-2,5-diethylphospholano)benzene(cyclooctadiene)rhodium(I) tetrafluoroborate, 97%, Thermo Scientific Chemicals

CAS: 228121-39-9 Molecular Formula: C30H48BF4P2Rh Molecular Weight (g/mol): 660.37 MDL Number: MFCD01862464 InChI Key: DSYBEQKPSKLNMC-RTXTXWNLNA-N PubChem CID: 11549211 IUPAC Name: cyclooctane;(2R,5R)-1-[2-[(2R,5R)-2,5-diethylphospholan-1-yl]phenyl]-2,5-diethylphospholane;rhodium;tetrafluoroborate SMILES: [Rh+].F[B-](F)(F)F.C1C\C=C/CC\C=C/1.CC[C@@H]1CC[C@@H](CC)P1C1=C(C=CC=C1)P1[C@H](CC)CC[C@H]1CC

PubChem CID 11549211
CAS 228121-39-9
Molecular Weight (g/mol) 660.37
MDL Number MFCD01862464
SMILES [Rh+].F[B-](F)(F)F.C1C\C=C/CC\C=C/1.CC[C@@H]1CC[C@@H](CC)P1C1=C(C=CC=C1)P1[C@H](CC)CC[C@H]1CC
IUPAC Name cyclooctane;(2R,5R)-1-[2-[(2R,5R)-2,5-diethylphospholan-1-yl]phenyl]-2,5-diethylphospholane;rhodium;tetrafluoroborate
InChI Key DSYBEQKPSKLNMC-RTXTXWNLNA-N
Molecular Formula C30H48BF4P2Rh
3

1,2-Bis((2S,5S)-2,5-dimethylphospholano)ethane(cyclooctadiene)rhodium(I) tetrafluoroborate, 97%, Thermo Scientific Chemicals

CAS: 213343-65-8 Molecular Formula: C22H40BF4P2Rh Molecular Weight (g/mol): 556.22 MDL Number: MFCD09038435 InChI Key: CVUPEPGZCZHSOF-BDNLEJQTNA-N Synonym: 1,2-bis 2s,5s-2,5-dimethylphospholano ethane cyclooctadiene rhodium i tetrafluoroborate,--1,2-bis 2s,5s-2,5-dimethylphospholano ethane cyclooctadiene rhodium i tetrafluoroborate,s,s-me-bpe-rh,--1,2-bis 2s,5s-2,5-dimethylphospholano ethane cyclooctadiene-rhodium i tetrafluoroborate PubChem CID: 12964417 SMILES: [Rh+].F[B-](F)(F)F.C1C\C=C/CC\C=C/1.C[C@H]1CC[C@H](C)P1CCP1[C@@H](C)CC[C@@H]1C

PubChem CID 12964417
CAS 213343-65-8
Molecular Weight (g/mol) 556.22
MDL Number MFCD09038435
SMILES [Rh+].F[B-](F)(F)F.C1C\C=C/CC\C=C/1.C[C@H]1CC[C@H](C)P1CCP1[C@@H](C)CC[C@@H]1C
Synonym 1,2-bis 2s,5s-2,5-dimethylphospholano ethane cyclooctadiene rhodium i tetrafluoroborate,--1,2-bis 2s,5s-2,5-dimethylphospholano ethane cyclooctadiene rhodium i tetrafluoroborate,s,s-me-bpe-rh,--1,2-bis 2s,5s-2,5-dimethylphospholano ethane cyclooctadiene-rhodium i tetrafluoroborate
InChI Key CVUPEPGZCZHSOF-BDNLEJQTNA-N
Molecular Formula C22H40BF4P2Rh
4
Promotions Available

(+)-1,2-Bis[(2S,5S)-2,5-diethyl-1-phospholanyl]benzene, 97+%

CAS: 136779-28-7 Molecular Formula: C22H36P2 Molecular Weight (g/mol): 362.478 MDL Number: MFCD00142321 InChI Key: GVVCHDNSTMEUCS-MUGJNUQGSA-N Synonym: ethyl-duphos, s,s,unii-fri8026kma,s,s-et-duphos,fri8026kma,+-1,2-bis 2s,5s-2,5-diethylphospholano benzene,+-duphos,2s,5s-1-2-2s,5s-2,5-diethylphospholan-1-yl phenyl-2,5-diethylphospholane,s,s-ethyl-duphos PubChem CID: 5702640 IUPAC Name: (2S,5S)-1-[2-[(2S,5S)-2,5-diethylphospholan-1-yl]phenyl]-2,5-diethylphospholane SMILES: CCC1CCC(P1C2=CC=CC=C2P3C(CCC3CC)CC)CC

PubChem CID 5702640
CAS 136779-28-7
Molecular Weight (g/mol) 362.478
MDL Number MFCD00142321
SMILES CCC1CCC(P1C2=CC=CC=C2P3C(CCC3CC)CC)CC
Synonym ethyl-duphos, s,s,unii-fri8026kma,s,s-et-duphos,fri8026kma,+-1,2-bis 2s,5s-2,5-diethylphospholano benzene,+-duphos,2s,5s-1-2-2s,5s-2,5-diethylphospholan-1-yl phenyl-2,5-diethylphospholane,s,s-ethyl-duphos
IUPAC Name (2S,5S)-1-[2-[(2S,5S)-2,5-diethylphospholan-1-yl]phenyl]-2,5-diethylphospholane
InChI Key GVVCHDNSTMEUCS-MUGJNUQGSA-N
Molecular Formula C22H36P2
5
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5-Amino-2-(hydroxymethyl)benzeneboronic acid hemiester hydrochloride, 95%

CAS: 117098-93-8 Molecular Formula: C7H9BClNO2 Molecular Weight (g/mol): 185.41 MDL Number: MFCD04115645 InChI Key: ZDCBDYGPSUVCOU-UHFFFAOYSA-N Synonym: 6-aminobenzo c 1,2 oxaborol-1 3h-ol hydrochloride,6-amino-1-hydroxy-2,1-benzoxaborolane hydrochloride,5-amino-2-hydroxymethylphenylboronic acid, hcl, dehydrate,5-amino-2-hydroxymethylphenyl boronic acid, hcl, dehydrate,6-amino-3h-2,1-benzoxaborol-1-ol hydrochloride,1-hydroxy-3h-2,1-benzoxaborol-6-amine hydrochloride,5-amino-2-hydroxymethylphenyl boronic acid, hydrochloride, dehydrate,6-amino-1-hydroxy-2,1-benzoxaborolane, hcl,6-amino-2,1-benzoxaborol-1 3h-ol-hydrogen chloride 1/1,5-amino-2-hydroxymethylphenyl boronicacid, hcl, dehydrate PubChem CID: 44118730 IUPAC Name: 1-hydroxy-3H-2,1-benzoxaborol-6-amine;hydrochloride SMILES: Cl.NC1=CC2=C(COB2O)C=C1

PubChem CID 44118730
CAS 117098-93-8
Molecular Weight (g/mol) 185.41
MDL Number MFCD04115645
SMILES Cl.NC1=CC2=C(COB2O)C=C1
Synonym 6-aminobenzo c 1,2 oxaborol-1 3h-ol hydrochloride,6-amino-1-hydroxy-2,1-benzoxaborolane hydrochloride,5-amino-2-hydroxymethylphenylboronic acid, hcl, dehydrate,5-amino-2-hydroxymethylphenyl boronic acid, hcl, dehydrate,6-amino-3h-2,1-benzoxaborol-1-ol hydrochloride,1-hydroxy-3h-2,1-benzoxaborol-6-amine hydrochloride,5-amino-2-hydroxymethylphenyl boronic acid, hydrochloride, dehydrate,6-amino-1-hydroxy-2,1-benzoxaborolane, hcl,6-amino-2,1-benzoxaborol-1 3h-ol-hydrogen chloride 1/1,5-amino-2-hydroxymethylphenyl boronicacid, hcl, dehydrate
IUPAC Name 1-hydroxy-3H-2,1-benzoxaborol-6-amine;hydrochloride
InChI Key ZDCBDYGPSUVCOU-UHFFFAOYSA-N
Molecular Formula C7H9BClNO2
6

Sigma Aldrich 5-Bromo-2-methylbenzenesulfonamide

MilliporeSigma Sigma Organics products encompass a wide range of quality reagents, solvents, catalysts, and building blocks for organic synthesis. From benchtop discovery to process development and scale-up, Sigma Organics solutions are built to meet the needs of synthetic chemists.

ENCOMPASS ENCOMPASS_PREFERRED
CAS 56919-16-5
7

Sigma Aldrich 2-(2-Thienyl)isonicotinic acid

MilliporeSigma Sigma Organics products encompass a wide range of quality reagents, solvents, catalysts, and building blocks for organic synthesis. From benchtop discovery to process development and scale-up, Sigma Organics solutions are built to meet the needs of synthetic chemists.

ENCOMPASS ENCOMPASS_PREFERRED
8

Sigma Aldrich 4,5-Dimethyl-2-furaldehyde

MilliporeSigma Sigma Organics products encompass a wide range of quality reagents, solvents, catalysts, and building blocks for organic synthesis. From benchtop discovery to process development and scale-up, Sigma Organics solutions are built to meet the needs of synthetic chemists.

ENCOMPASS ENCOMPASS_PREFERRED
CAS 52480-43-0
9

Sigma Aldrich 2,4-Bis(trifluoromethyl)benzyl bromide

MilliporeSigma Sigma Organics products encompass a wide range of quality reagents, solvents, catalysts, and building blocks for organic synthesis. From benchtop discovery to process development and scale-up, Sigma Organics solutions are built to meet the needs of synthetic chemists.

ENCOMPASS ENCOMPASS_PREFERRED
CAS 140690-56-8
10

STA PHARMACEUTICAL US LLC (2S,5S)-Fmoc-5-amino-1,2,4,5,6,7-hexahydroazepino[3,2,1-hi]indole-4-one-2-carboxylic acid | 1 g | CAS 204326-24-9 | MDL MFCD00673792

(2S,5S)-Fmoc-5-amino-1,2,4,5,6,7-hexahydroazepino[3,2,1-hi]indole-4-one-2-carboxylic acid is a Amino Acid reagent (Subcategory: Unusual AA) sold by WuXi TIDES. Offered in 1 g. Store at 4 °C. SDS available for reference.

Specifications
- CAS: 204326-24-9
- MDL: MFCD00673792
- InChIKey: NHNOPJNRVODSCV-ZEQRLZLVSA-N
- Molecular Weight: 468.509
- Molecular Formula: C28H24N2O5
- Purity: ≥95%
- Container Type: 15 mL HDPE
- Pack Size: 1 g
- Net Weight: 1 g
- Gross Weight: 7.8 g
- Commodity Code: 29337900
- Country Of Origin: China
- IUPAC: (3S,6S)-3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-4-oxo-1,2,3,4,6,7-hexahydroazepino[3,2,1-hi]indole-6-carboxylic acid
- SMILES: OC(=O)[C@@H]1CC2=CC=CC3=C2N1C(=O)[C@H](CC3)NC(=O)OCC1C2=C(C=CC=C2)C2=C1C=CC=C2

ENCOMPASS
11

STA PHARMACEUTICAL US LLC (2S,5S)-Fmoc-5-amino-1,2,4,5,6,7-hexahydroazepino[3,2,1-hi]indole-4-one-2-carboxylic acid | 10 g | CAS 204326-24-9 | MDL MFCD00673792

(2S,5S)-Fmoc-5-amino-1,2,4,5,6,7-hexahydroazepino[3,2,1-hi]indole-4-one-2-carboxylic acid is a Amino Acid reagent (Subcategory: Unusual AA) sold by WuXi TIDES. Offered in 10 g. Store at 4 °C. SDS available for reference.

Specifications
- CAS: 204326-24-9
- MDL: MFCD00673792
- InChIKey: NHNOPJNRVODSCV-ZEQRLZLVSA-N
- Molecular Weight: 468.509
- Molecular Formula: C28H24N2O5
- Purity: ≥95%
- Container Type: 60 mL HDPE
- Pack Size: 10 g
- Net Weight: 10 g
- Gross Weight: 25 g
- Commodity Code: 29337900
- Country Of Origin: China
- IUPAC: (3S,6S)-3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-4-oxo-1,2,3,4,6,7-hexahydroazepino[3,2,1-hi]indole-6-carboxylic acid
- SMILES: OC(=O)[C@@H]1CC2=CC=CC3=C2N1C(=O)[C@H](CC3)NC(=O)OCC1C2=C(C=CC=C2)C2=C1C=CC=C2

ENCOMPASS
12

STA PHARMACEUTICAL US LLC (2S,5S)-Fmoc-5-amino-1,2,4,5,6,7-hexahydroazepino[3,2,1-hi]indole-4-one-2-carboxylic acid | 25 g | CAS 204326-24-9 | MDL MFCD00673792

(2S,5S)-Fmoc-5-amino-1,2,4,5,6,7-hexahydroazepino[3,2,1-hi]indole-4-one-2-carboxylic acid is a Amino Acid reagent (Subcategory: Unusual AA) sold by WuXi TIDES. Offered in 25 g. Store at 4 °C. SDS available for reference.

Specifications
- CAS: 204326-24-9
- MDL: MFCD00673792
- InChIKey: NHNOPJNRVODSCV-ZEQRLZLVSA-N
- Molecular Weight: 468.509
- Molecular Formula: C28H24N2O5
- Purity: ≥95%
- Container Type: 125 mL HDPE
- Pack Size: 25 g
- Net Weight: 25 g
- Gross Weight: 54.3 g
- Commodity Code: 29337900
- Country Of Origin: China
- IUPAC: (3S,6S)-3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-4-oxo-1,2,3,4,6,7-hexahydroazepino[3,2,1-hi]indole-6-carboxylic acid
- SMILES: OC(=O)[C@@H]1CC2=CC=CC3=C2N1C(=O)[C@H](CC3)NC(=O)OCC1C2=C(C=CC=C2)C2=C1C=CC=C2

ENCOMPASS
13

STA PHARMACEUTICAL US LLC (2S,5S)-Fmoc-5-amino-1,2,4,5,6,7-hexahydroazepino[3,2,1-hi]indole-4-one-2-carboxylic acid | 100 g | CAS 204326-24-9 | MDL MFCD00673792

(2S,5S)-Fmoc-5-amino-1,2,4,5,6,7-hexahydroazepino[3,2,1-hi]indole-4-one-2-carboxylic acid is a Amino Acid reagent (Subcategory: Unusual AA) sold by WuXi TIDES. Offered in 100 g. Store at 4 °C. SDS available for reference.

Specifications
- CAS: 204326-24-9
- MDL: MFCD00673792
- InChIKey: NHNOPJNRVODSCV-ZEQRLZLVSA-N
- Molecular Weight: 468.509
- Molecular Formula: C28H24N2O5
- Purity: ≥95%
- Container Type: 500 mL HDPE
- Pack Size: 100 g
- Net Weight: 100 g
- Gross Weight: 160.5 g
- Commodity Code: 29337900
- Country Of Origin: China
- IUPAC: (3S,6S)-3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-4-oxo-1,2,3,4,6,7-hexahydroazepino[3,2,1-hi]indole-6-carboxylic acid
- SMILES: OC(=O)[C@@H]1CC2=CC=CC3=C2N1C(=O)[C@H](CC3)NC(=O)OCC1C2=C(C=CC=C2)C2=C1C=CC=C2

ENCOMPASS
14

STA PHARMACEUTICAL US LLC (2S,5S)-Fmoc-5-amino-1,2,4,5,6,7-hexahydroazepino[3,2,1-hi]indole-4-one-2-carboxylic acid | 50 g | CAS 204326-24-9 | MDL MFCD00673792

(2S,5S)-Fmoc-5-amino-1,2,4,5,6,7-hexahydroazepino[3,2,1-hi]indole-4-one-2-carboxylic acid is a Amino Acid reagent (Subcategory: Unusual AA) sold by WuXi TIDES. Offered in 50 g. Store at 4 °C. SDS available for reference.

Specifications
- CAS: 204326-24-9
- MDL: MFCD00673792
- InChIKey: NHNOPJNRVODSCV-ZEQRLZLVSA-N
- Molecular Weight: 468.509
- Molecular Formula: C28H24N2O5
- Purity: ≥95%
- Container Type: 250 mL HDPE
- Pack Size: 50 g
- Net Weight: 50 g
- Gross Weight: 89.8 g
- Commodity Code: 29337900
- Country Of Origin: China
- IUPAC: (3S,6S)-3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-4-oxo-1,2,3,4,6,7-hexahydroazepino[3,2,1-hi]indole-6-carboxylic acid
- SMILES: OC(=O)[C@@H]1CC2=CC=CC3=C2N1C(=O)[C@H](CC3)NC(=O)OCC1C2=C(C=CC=C2)C2=C1C=CC=C2

ENCOMPASS
15

STA PHARMACEUTICAL US LLC (2S,5S)-Fmoc-5-amino-1,2,4,5,6,7-hexahydroazepino[3,2,1-hi]indole-4-one-2-carboxylic acid | 5 g | CAS 204326-24-9 | MDL MFCD00673792

(2S,5S)-Fmoc-5-amino-1,2,4,5,6,7-hexahydroazepino[3,2,1-hi]indole-4-one-2-carboxylic acid is a Amino Acid reagent (Subcategory: Unusual AA) sold by WuXi TIDES. Offered in 5 g. Store at 4 °C. SDS available for reference.

Specifications
- CAS: 204326-24-9
- MDL: MFCD00673792
- InChIKey: NHNOPJNRVODSCV-ZEQRLZLVSA-N
- Molecular Weight: 468.509
- Molecular Formula: C28H24N2O5
- Purity: ≥95%
- Container Type: 30 mL HDPE
- Pack Size: 5 g
- Net Weight: 5 g
- Gross Weight: 16.5 g
- Commodity Code: 29337900
- Country Of Origin: China
- IUPAC: (3S,6S)-3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-4-oxo-1,2,3,4,6,7-hexahydroazepino[3,2,1-hi]indole-6-carboxylic acid
- SMILES: OC(=O)[C@@H]1CC2=CC=CC3=C2N1C(=O)[C@H](CC3)NC(=O)OCC1C2=C(C=CC=C2)C2=C1C=CC=C2

ENCOMPASS