5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-methyl-8-oxo-7-(((1-phenylcyclopentyl)carbonyl)amino)-, (6R-trans)-

Base Information

Chemical Name:5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-methyl-8-oxo-7-(((1-phenylcyclopentyl)carbonyl)amino)-, (6R-trans)-
CAS No.:108098-25-5
Molecular Formula:C20H22 N2 O4 S
Molecular Weight:386.4647
Hs Code.:
DSSTox Substance ID:DTXSID00148395
Wikidata:Q76156609

Synonyms:BRN 5656395;5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-methyl-8-oxo- 7-(((1-phenylcyclopentyl)carbonyl)amino)-, (6R-trans)-;108098-25-5;DTXSID00148395;LS-150081

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Supply Marketing:

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

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Chemical Property of 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-methyl-8-oxo-7-(((1-phenylcyclopentyl)carbonyl)amino)-, (6R-trans)-

Chemical Property:

Vapor Pressure:1.06E-21mmHg at 25°C
Boiling Point:719.1°Cat760mmHg
Flash Point:388.7°C
Density:1.41g/cm³
XLogP3:2.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:386.13002836
Heavy Atom Count:27
Complexity:692

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(N2C(C(C2=O)NC(=O)C3(CCCC3)C4=CC=CC=C4)SC1)C(=O)O
Isomeric SMILES:CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)C3(CCCC3)C4=CC=CC=C4)SC1)C(=O)O

Technology Process of 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-methyl-8-oxo-7-(((1-phenylcyclopentyl)carbonyl)amino)-, (6R-trans)-

There total 6 articles about 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-methyl-8-oxo-7-(((1-phenylcyclopentyl)carbonyl)amino)-, (6R-trans)- 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: 78.5%

: 22252-43-3,26395-99-3,70287-30-8,72059-35-9
3-deacetyloxy-7-aminocephalosporanic acid

: 408539-39-9
C₁₅H₁₈O₄

: 108098-25-5
1-Phenylcyclopentyl-1-deacetoxycephalosporin

Guidance literature:: With sodium hydrogencarbonate; In acetone; for 4h;
DOI:10.1007/BF00765109

Reference yield: 72.7%

: 1-Phenylcyclopentyl-1-deacetoxycephalosporin p-nitrobenzyl ester

: 108098-25-5
1-Phenylcyclopentyl-1-deacetoxycephalosporin

Guidance literature:: With sodium hydroxide; sodium dithionite; In water; acetonitrile; at 20 ℃; for 0.5h;
DOI:10.1007/BF00765109

Reference yield:

: 36518-24-8
1-Phenylcyclopentyl-1-penicillin sodium salt

: 108098-25-5
1-Phenylcyclopentyl-1-deacetoxycephalosporin

Guidance literature:: Multi-step reaction with 4 steps

1: 92.3 percent / NaI / dimethylformamide / 36 h / 20 °C

2: 71.4 percent / monoperphthalic acid / CHCl₃ / 1.5 h

3: 70.5 percent / Cl₂CHPO₃H₂*C₆H₅N / dioxane / 12 h / Heating

4: 72.7 percent / Na₂S₂O₄, NaOH / acetonitrile; H₂O / 0.5 h / 20 °C

With sodium hydroxide; sodium dithionite; monoperoxyphthalic acid; sodium iodide; dichloromethanephosphonic acid mono-pyridinium salt; In 1,4-dioxane; chloroform; water; N,N-dimethyl-formamide; acetonitrile;
DOI:10.1007/BF00765109