5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((1-(4-propoxyphenyl)cyclopropyl)carbonyl)amino)-3-methyl-8-oxo-, (6R-trans)-

Base Information

Chemical Name:5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((1-(4-propoxyphenyl)cyclopropyl)carbonyl)amino)-3-methyl-8-oxo-, (6R-trans)-
CAS No.:108146-11-8
Molecular Formula:C₂₁H₂₄N₂O₅S
Molecular Weight:416.498
Hs Code.:
DSSTox Substance ID:DTXSID20910637
Wikidata:Q76156653

Synonyms:BRN 5664701;108146-11-8;5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((1-(4-propoxyphenyl)cyclopropyl)carbonyl)amino)-3-methyl-8-oxo-, (6R-trans)-;DTXSID20910637;LS-150093;7-({Hydroxy[1-(4-propoxyphenyl)cyclopropyl]methylidene}amino)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

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Chemical Property of 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((1-(4-propoxyphenyl)cyclopropyl)carbonyl)amino)-3-methyl-8-oxo-, (6R-trans)-

Chemical Property:

Vapor Pressure:1.26E-22mmHg at 25°C
Boiling Point:734.1°C at 760 mmHg
Flash Point:397.8°C
Density:1.41g/cm³
XLogP3:2.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:416.14059304
Heavy Atom Count:29
Complexity:739

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCOC1=CC=C(C=C1)C2(CC2)C(=O)NC3C4N(C3=O)C(=C(CS4)C)C(=O)O
Isomeric SMILES:CCCOC1=CC=C(C=C1)C2(CC2)C(=O)N[C@H]3[C@@H]4N(C3=O)C(=C(CS4)C)C(=O)O

Technology Process of 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((1-(4-propoxyphenyl)cyclopropyl)carbonyl)amino)-3-methyl-8-oxo-, (6R-trans)-

There total 2 articles about 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((1-(4-propoxyphenyl)cyclopropyl)carbonyl)amino)-3-methyl-8-oxo-, (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: 73.5%

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

: C₁₆H₂₀O₅

: 108146-11-8
(6R,7R)-3-Methyl-8-oxo-7-{[1-(4-propoxy-phenyl)-cyclopropanecarbonyl]-amino}-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid

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

Reference yield:

: 74205-35-9
1-(4-Propoxy-phenyl)-cyclopropanecarboxylic acid

: 108146-11-8
(6R,7R)-3-Methyl-8-oxo-7-{[1-(4-propoxy-phenyl)-cyclopropanecarbonyl]-amino}-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: Et₃N / acetone / 2 h / 20 °C

2: 73.5 percent / 3percent NaHCO₃ / acetone / 4 h

With sodium hydrogencarbonate; triethylamine; In acetone;
DOI:10.1007/BF00765109