6,6-Dibromopenicillanic acid

Base Information Edit

Chemical Name:6,6-Dibromopenicillanic acid
CAS No.:24158-88-1
Molecular Formula:C8H9 Br2 N O3 S
Molecular Weight:359.038
Hs Code.:2941906000
European Community (EC) Number:246-046-7
UNII:6BK42Q4304
DSSTox Substance ID:DTXSID70178861
Nikkaji Number:J287.171H
Mol file:24158-88-1.mol

Synonyms:6,6-Dibromopenicillanic acid;24158-88-1;(2s,5r)-6,6-dibromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;EINECS 246-046-7;UNII-6BK42Q4304;6BK42Q4304;(2S-cis)-6,6-Dibromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid;(2S,5R)-6,6-DIBROMO-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID;(2S,5R)-6,6-Dibromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic Acid (6,6-Dibromopenicillanic Acid);(2S-cis)-6,6-dibromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;C8H9Br2NO3S;SCHEMBL5183411;C8-H9-Br2-N-O3-S;DTXSID70178861;AKOS015960505;AC-11509;SULBACTAM SODIUM IMPURITY F [EP IMPURITY];Q27264449;6,6-dibromo-2,2-dimethyl-(5R)penam-3alpha-carboxylic acid;(2s,5r)-6,6-dibromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid;4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 6,6-DIBROMO-3,3-DIMETHYL-7-OXO-, (2S,5R)-;4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 6,6-DIBROMO-3,3-DIMETHYL-7-OXO-, (2S-CIS)-

Suppliers and Price of 6,6-Dibromopenicillanic acid

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
6,6-DibromopenicillanicAcid
1g
$ 1320.00

American Custom Chemicals Corporation
6,6-DIBROMOPENICILLANIC ACID 95.00%
5MG
$ 500.09

Total 19 raw suppliers

Chemical Property of 6,6-Dibromopenicillanic acid Edit

Chemical Property:

Vapor Pressure:2.14E-10mmHg at 25°C
Melting Point:142-145 °C
Boiling Point:476.6°C at 760 mmHg
PKA:2.43±0.50(Predicted)
Flash Point:242°C
PSA：82.91000
Density:2.17g/cm³
LogP:1.55730
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:358.86494
Heavy Atom Count:15
Complexity:358

Purity/Quality:

99% ^*data from raw suppliers

6,6-DibromopenicillanicAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(C(N2C(S1)C(C2=O)(Br)Br)C(=O)O)C
Isomeric SMILES:CC1([C@@H](N2[C@H](S1)C(C2=O)(Br)Br)C(=O)O)C
Uses 6,6-Dibromopenicillanic Acid is an impurity of the semi-synthetic β-lactamase inhibitor Sulbactam (S699185). 6,6-Dibromopenicillanic Acid (Sulbactam EP Impurity F) is an impurity of the semi-synthetic β-lactamase inhibitor Sulbactam (S699185).

Technology Process of 6,6-Dibromopenicillanic acid

There total 5 articles about 6,6-Dibromopenicillanic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 97.4%