Benzylpenicilloic acid

Base Information

Chemical Name:Benzylpenicilloic acid
CAS No.:13057-98-2
Molecular Formula:C16H20 N2 O5 S
Molecular Weight:352.411
Hs Code.:2934999090
NSC Number:521049,163084
DSSTox Substance ID:DTXSID301031726
Nikkaji Number:J24.634D
Wikipedia:Penicilloic_acid

Synonyms:penicilloate;penicilloic acid;penicilloic acid, disodium salt

Suppliers and Price of Benzylpenicilloic acid

Supply Marketing:

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

Sigma-Aldrich
Benzylpenicilloic acid disodium salt, mixture of epimeres ≥95% (HPLC)
50mg
$ 658.00

Sigma-Aldrich
Benzylpenicilloic acid disodium salt, mixture of epimeres ≥95% (HPLC)
10mg
$ 124.00

Total 13 raw suppliers

Chemical Property of Benzylpenicilloic acid

Chemical Property:

Melting Point:112 °C
Boiling Point:687.1°Cat760mmHg
PKA:pKa 5.32±0.05(H2O t=25 c=0.01M)(Approximate)
Flash Point:369.3°C
PSA：141.03000
Density:1.331g/cm³
LogP:1.41250
Storage Temp.:2-8°C
XLogP3:-1.1
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:352.10929292
Heavy Atom Count:24
Complexity:505

Purity/Quality:

97% ^*data from raw suppliers

Benzylpenicilloic acid disodium salt, mixture of epimeres ≥95% (HPLC) ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(C(NC(S1)C(C(=O)O)NC(=O)CC2=CC=CC=C2)C(=O)O)C
Uses Benzylpenicilloic Acid is a secondary metabolites in Penicillin G (61-33-6 an antibacterial, antimicrobial medication.

Technology Process of Benzylpenicilloic acid

There total 19 articles about Benzylpenicilloic 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: 23.0%

: 61-33-6,7005-30-3,30411-69-9,47294-41-7,47294-44-0,70019-71-5
6-(2-phenylacetamido)penicillanic acid

: 13057-98-2
benzylpenicilloic acid

: 3264-88-8,32347-08-3,108101-71-9
benzylpenicillenic acid

: 13093-87-3
benzylpenicillic acid

Guidance literature:: Rate constant; acidic degradation;

Reference yield:

: 61-33-6
penicillin G

: 13057-98-2,87492-68-0,89014-19-7,96572-86-0,96572-87-1
benzylpenicilloic acid

: 64950-15-8,108101-72-0
benzylpenamaldic acid

: 501-34-8,28325-47-5
benzylpenilloic acid

: 3264-88-8,32347-08-3,108101-71-9
benzylpenicillenic acid

: 13093-87-3
benzylpenicillic acid

Guidance literature:: With hydrogenchloride; In water; at 30 ℃; Rate constant; hydrolysis;

Reference yield:

: 61-33-6
penicillin G

: 13057-98-2
benzylpenicilloic acid

Guidance literature:: With TEM-1 β-lactamase; In aq. phosphate buffer; glycerol; pH=7; Reagent/catalyst; Enzymatic reaction;
DOI:10.1039/c5md00325c