Einecs 255-470-1

Base Information

Chemical Name:Einecs 255-470-1
CAS No.:41625-65-4
Molecular Formula:C23H23N3O8S
Molecular Weight:501.517
Hs Code.:
European Community (EC) Number:255-470-1
DSSTox Substance ID:DTXSID20961846
Mol file:41625-65-4.mol

Synonyms:EINECS 255-470-1;41625-65-4;(4-Nitrophenyl)methyl (2S-(2alpha,4beta,5alpha,6beta))-3,3-dimethyl-7-oxo-6-(phenoxyacetamido)-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate 4-oxide;DTXSID20961846;N-[2-(Methoxycarbonyl)-3,3-dimethyl-2-(4-nitrophenyl)-4,7-dioxo-4lambda~4~-thia-1-azabicyclo[3.2.0]heptan-6-yl]-2-phenoxyethanimidic acid

Suppliers and Price of Einecs 255-470-1

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 Einecs 255-470-1

Chemical Property:

Boiling Point:828.4°Cat760mmHg
Flash Point:454.8°C
PSA：167.04000
Density:1.51g/cm³
LogP:2.99730
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:7
Exact Mass:501.12058587
Heavy Atom Count:35
Complexity:907

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=O)C(C2=O)NC(=O)COC3=CC=CC=C3)(C4=CC=C(C=C4)[N+](=O)[O-])C(=O)OC)C
Isomeric SMILES:CC1([C@](N2[C@H](S1=O)[C@@H](C2=O)NC(=O)COC3=CC=CC=C3)(C4=CC=C(C=C4)[N+](=O)[O-])C(=O)OC)C

Technology Process of Einecs 255-470-1

There total 7 articles about Einecs 255-470-1 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: 96.0%

: 58244-55-6,67807-63-0,87018-70-0
(S)-3,3-Dimethyl-7-oxo-6-(2-phenoxy-acetylamino)-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid 4-nitro-benzyl ester

: 29707-62-8,41625-65-4,68000-26-0,70145-05-0,84278-68-2
(S)-3,3-Dimethyl-4,7-dioxo-6-(2-phenoxy-acetylamino)-4λ⁴-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid 4-nitro-benzyl ester

Guidance literature:: With formic acid; dihydrogen peroxide; In dichloromethane; at 0 - 5 ℃; for 3h;
DOI:10.1055/s-1989-27194

Reference yield: 92.0%

: 58244-55-6
4-nitrobenzyl(2S,5R,6R)-3,3-dimethyl-7-oxo-6-phenoxyacetamido-1-aza-4-thiabicyclo<3.2.0>heptane-2-carboxylate

: 41625-65-4
4-nitrobenzyl(2S,4S,5R,6R)-3,3-dimethyl-7-oxo-6-phenoxyacetamido-1-aza-4-thiabicyclo<3.2.0>heptane-2-carboxylate 4-oxide

Guidance literature:: With oxygen; 3-chloro-benzenecarboperoxoic acid; In dichloromethane; for 0.583333h; Ambient temperature;
DOI:10.1016/S0040-4020(01)91148-2