6-(((Benzyloxy)-1,3-dioxo-2-phenylpropyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid

Base Information

• Chemical Name: 6-(((Benzyloxy)-1,3-dioxo-2-phenylpropyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
• CAS No.: 3973-06-6
• Molecular Formula: C24H24N2O6S
• Molecular Weight: 468.53
• European Community (EC) Number: 223-600-6
• DSSTox Substance ID: DTXSID60960333
• Mol file: 3973-06-6.mol

Synonyms:3973-06-6;EINECS 223-600-6;DTXSID60960333;6-(((Benzyloxy)-1,3-dioxo-2-phenylpropyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid;6-{[3-(Benzyloxy)-1-hydroxy-3-oxo-2-phenylpropylidene]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Chemical Property of 6-(((Benzyloxy)-1,3-dioxo-2-phenylpropyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid

Chemical Property:

• Vapor Pressure: 3.99E-24mmHg at 25°C
• Boiling Point: 757.6°Cat760mmHg
• Flash Point: 412°C
• PSA: 138.31000
• Density: 1.42g/cm³
• LogP: 2.47410
• XLogP3: 3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 468.13550766
• Heavy Atom Count: 33
• Complexity: 790

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)C(=O)O)C
• Isomeric SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)C(=O)O)C

Technology Process of 6-(((Benzyloxy)-1,3-dioxo-2-phenylpropyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid

There total 1 articles about 6-(((Benzyloxy)-1,3-dioxo-2-phenylpropyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic 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:

6-Aminopenicillanic Acid (551-16-6) + monobenzyl phenylmalonate (25774-02-1) → 6β-((Ξ)-2-benzyloxycarbonyl-2-phenyl-acetylamino)-penicillanic acid (3973-06-6)

Guidance literature:

Multistep reaction; (i) SOCl₂, (ii) /BRN= 15080/, aq. NaOH, NaHCO₃, acetone;

DOI:10.1021/jm00236a013

upstream raw materials:

6-Aminopenicillanic Acid

monobenzyl phenylmalonate

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