(6R,7S)-3-(acetyloxymethyl)-7-amino-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Base Information

Chemical Name:(6R,7S)-3-(acetyloxymethyl)-7-amino-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS No.:54083-02-2
Molecular Formula:C11H14 N2 O6 S
Molecular Weight:302.308
Hs Code.:
Nikkaji Number:J279.576K
Mol file:54083-02-2.mol

Synonyms:SCHEMBL10369748

Suppliers and Price of (6R,7S)-3-(acetyloxymethyl)-7-amino-7-methoxy-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:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 5 raw suppliers

Chemical Property of (6R,7S)-3-(acetyloxymethyl)-7-amino-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Chemical Property:

Vapor Pressure:5.33E-14mmHg at 25°C
Boiling Point:559.8°Cat760mmHg
PKA:2.62±0.50(Predicted)
Flash Point:292.3°C
PSA：144.46000
Density:1.57g/cm³
LogP:-0.25710
XLogP3:-3.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:302.05725734
Heavy Atom Count:20
Complexity:519

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)(N)OC)SC1)C(=O)O
Isomeric SMILES:CC(=O)OCC1=C(N2[C@@H]([C@@](C2=O)(N)OC)SC1)C(=O)O

Technology Process of (6R,7S)-3-(acetyloxymethyl)-7-amino-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

There total 5 articles about (6R,7S)-3-(acetyloxymethyl)-7-amino-7-methoxy-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:

: 67-56-1
methanol

: 957-68-6
7-Aminocephalosporanic acid

: 54083-02-2
(6R)-3-acetoxymethyl-7t-amino-7c-methoxy-8-oxo-(6rH)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Guidance literature:: With sodium hydrogencarbonate; In diethyl ether; at 30 ℃; for 1h; Temperature; Large scale; Enzymatic reaction;

Reference yield:

: 54055-49-1
(6R)-3-acetoxymethyl-7t-(4-nitro-benzyloxycarbonylamino)-8-oxo-(6rH)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid

: 54083-02-2
(6R)-3-acetoxymethyl-7t-amino-7c-methoxy-8-oxo-(6rH)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Guidance literature:: Multi-step reaction with 3 steps

1: tetrahydrofuran

2: (i) (methoxylation), (ii) H₂, Pd-C, MeOH, THF, (iii) SiO₂, CH₂Cl₂

3: CF₃CO₂H

With trifluoroacetic acid; In tetrahydrofuran;
DOI:10.1016/S0040-4039(01)82475-8

Reference yield:

: 1214622-93-1
7β-Aminocephalosporanic acid

: 54083-02-2
(6R)-3-acetoxymethyl-7t-amino-7c-methoxy-8-oxo-(6rH)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Guidance literature:: Multi-step reaction with 4 steps

1: (i) bis(trimethylsilyl)acetamide, MeCN, (ii) /BRN= 912446/

2: tetrahydrofuran

3: (i) (methoxylation), (ii) H₂, Pd-C, MeOH, THF, (iii) SiO₂, CH₂Cl₂

4: CF₃CO₂H

With trifluoroacetic acid; In tetrahydrofuran;
DOI:10.1016/S0040-4039(01)82475-8