(6R-trans)-3-[(Acetyloxy)methyl]-7-[[(2-amino-4-thiazolyl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid

Base Information

Chemical Name:(6R-trans)-3-[(Acetyloxy)methyl]-7-[[(2-amino-4-thiazolyl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid
CAS No.:58233-18-4
Molecular Formula:C15H16 N4 O6 S2
Molecular Weight:412.447
Hs Code.:
Mol file:58233-18-4.mol

Synonyms:SCHEMBL8776973;(6R-trans)-3-[(Acetyloxy)methyl]-7-[[(2-amino-4-thiazolyl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid

Suppliers and Price of (6R-trans)-3-[(Acetyloxy)methyl]-7-[[(2-amino-4-thiazolyl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid

Supply Marketing:

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

Manufacturers and distributors:

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Total 9 raw suppliers

Chemical Property of (6R-trans)-3-[(Acetyloxy)methyl]-7-[[(2-amino-4-thiazolyl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid

Chemical Property:

Vapor Pressure:1.97E-30mmHg at 25°C
Boiling Point:846.2°Cat760mmHg
PKA:2.67±0.50(Predicted)
Flash Point:465.5°C
PSA：209.68000
Density:1.65g/cm³
LogP:0.27780
XLogP3:-1.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:7
Exact Mass:412.05112659
Heavy Atom Count:27
Complexity:714

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC3=CSC(=N3)N)SC1)C(=O)O
Isomeric SMILES:CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CC3=CSC(=N3)N)SC1)C(=O)O
Uses (6R-trans)-3-[(Acetyloxy)methyl]-7-[[(2-amino-4-thiazolyl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid is an impurity of?Cefotiam, a?semi-synthetic cephalosporin antibiotic.

Technology Process of (6R-trans)-3-[(Acetyloxy)methyl]-7-[[(2-amino-4-thiazolyl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid

There total 8 articles about (6R-trans)-3-[(Acetyloxy)methyl]-7-[[(2-amino-4-thiazolyl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-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: 93.0%

: C₆H₈N₂O₄S₂*ClH

: 957-68-6
7-Aminocephalosporanic acid

: 58233-18-4
(6R)-3-acetoxymethyl-7t-[2-(2-amino-thiazol-4-yl)-acetylamino]-8-oxo-(6rH)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Guidance literature:: With N,N,N',N'-tetramethylguanidine; In dichloromethane; at -5 - 5 ℃; for 1h; Temperature;

Reference yield:

: 957-68-6
7-Aminocephalosporanic acid

: 58233-18-4
(6R)-3-acetoxymethyl-7t-[2-(2-amino-thiazol-4-yl)-acetylamino]-8-oxo-(6rH)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: (i) Cl₂, CH₂Cl₂, CCl₄, (ii) /BRN= 622638/, Et₃N

2: aq. NaHCO₃ / tetrahydrofuran

With sodium hydrogencarbonate; In tetrahydrofuran;
DOI:10.7164/antibiotics.31.1262