Amcccdb

Base Information

Chemical Name:Amcccdb
CAS No.:95672-01-8
Molecular Formula:C₁₄H₁₈ClNO₇S
Molecular Weight:379.818
Hs Code.:
DSSTox Substance ID:DTXSID60914876
Nikkaji Number:J341.851K
Wikidata:Q82885719
Pharos Ligand ID:AZC25UMCFFMU
ChEMBL ID:CHEMBL314476
Mol file:95672-01-8.mol

Synonyms:3-acetoxymethyl-7-chloro-3-cephem-4-carboxylate-1,1-dioxide tert-butylester;AMCCCDB

Suppliers and Price of Amcccdb

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 3 raw suppliers

Chemical Property of Amcccdb

Chemical Property:

Vapor Pressure:1.64E-14mmHg at 25°C
Boiling Point:603.4°Cat760mmHg
Flash Point:318.7°C
PSA：115.43000
Density:1.47g/cm³
LogP:1.36810
XLogP3:0
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:379.0492508
Heavy Atom Count:24
Complexity:729

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)OCC1=C(N2C(C(C2=O)Cl)S(=O)(=O)C1)C(=O)OC(C)(C)C
Isomeric SMILES:CC(=O)OCC1=C(N2[C@@H]([C@H](C2=O)Cl)S(=O)(=O)C1)C(=O)OC(C)(C)C

Technology Process of Amcccdb

There total 8 articles about Amcccdb 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: 71.0%

: 95570-98-2
tert-butyl 3-(acetoxymethyl)-7α-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

: 95672-01-8
tert-butyl 1,1-dioxo-trans-7-chloroacephalosporanate

Guidance literature:: With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; for 2h; Ambient temperature;
DOI:10.1021/jm00171a028

Reference yield: 42.0%

: 122189-87-1
tert-butyl 7-diazo-3-acetoxymethyl-3-cephem-4-carboxylate 1,1-dioxide

: 95672-01-8
tert-butyl 1,1-dioxo-trans-7-chloroacephalosporanate

: 122291-04-7
tert-butyl 1,1-dioxo-cis-7-chloroacephalosporanate

Guidance literature:: With hydrogenchloride; In ethyl acetate; at -5 ℃; for 0.0833333h;
DOI:10.1021/jo00277a030

Reference yield:

: 6187-87-7
7-Aminocephalosporanic acid t-butyl ester

: 95672-01-8
tert-butyl 1,1-dioxo-trans-7-chloroacephalosporanate

Guidance literature:: Multi-step reaction with 3 steps

1: 81 percent / 30percent H₂O₂, Na₂WO₄*2H₂O / ethyl acetate / 18 h / 25 °C

2: 95 percent / isopropyl nitrite, trifluoroacetic acid / ethyl acetate; CH₂Cl₂ / 1 h / 15 - 20 °C

3: 42 percent / HCl / ethyl acetate / 0.08 h / -5 °C

With hydrogenchloride; sodium tungstate; i-propyl nitrite; dihydrogen peroxide; trifluoroacetic acid; In dichloromethane; ethyl acetate;
DOI:10.1021/jo00277a030