Diphenylmethyl(6r,7r)-3-methyl-8-oxo-7-[(phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Base Information

Chemical Name:Diphenylmethyl(6r,7r)-3-methyl-8-oxo-7-[(phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CAS No.:29126-12-3
Molecular Formula:C29H26 N2 O4 S
Molecular Weight:498.602
Hs Code.:
European Community (EC) Number:249-456-4
DSSTox Substance ID:DTXSID70951732
Nikkaji Number:J250.772B
Wikidata:Q82930152
Mol file:29126-12-3.mol

Synonyms:EINECS 249-456-4;29126-12-3;diphenylmethyl(6r,7r)-3-methyl-8-oxo-7-[(phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;Diphenylmethyl (6R-trans)-3-methyl-8-oxo-7-(phenylacetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate;Diphenylmethyl (6R-trans)-3-methyl-8-oxo-7-(phenylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;DTXSID70951732;AKOS030240121;(7R)-7-(Phenylacetylamino)-3-methylcepham-3-ene-4-carboxylic acid diphenylmethyl ester;N-{2-[(Diphenylmethoxy)carbonyl]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl}-2-phenylethanimidic acid

Suppliers and Price of Diphenylmethyl(6r,7r)-3-methyl-8-oxo-7-[(phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

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 Diphenylmethyl(6r,7r)-3-methyl-8-oxo-7-[(phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Chemical Property:

Vapor Pressure:5.85E-23mmHg at 25°C
Boiling Point:759.4°Cat760mmHg
Flash Point:413.1°C
PSA：101.01000
Density:1.34g/cm³
LogP:4.56460
XLogP3:4.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:498.16132849
Heavy Atom Count:36
Complexity:837

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(C(C2=O)NC(=O)CC3=CC=CC=C3)SC1)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5
Isomeric SMILES:CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CC3=CC=CC=C3)SC1)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5

Technology Process of Diphenylmethyl(6r,7r)-3-methyl-8-oxo-7-[(phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

There total 7 articles about Diphenylmethyl(6r,7r)-3-methyl-8-oxo-7-[(phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate 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: 80.0%

: 851-77-4
3-Methyl-8-oxo-7-phenylacetylamino-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid

: N,N'-diisopropyl-O-diphenylmethyl isourea

: 29126-12-3,76173-04-1
(6R)-3-methyl-8-oxo-7t-(2-phenyl-acetylamino)-(6rH)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester

Guidance literature:: In tetrahydrofuran; at 20 ℃; for 4h;
DOI:10.1080/00397919808007035

Reference yield:

: 29126-12-3,76173-04-1
(6R)-3-methyl-8-oxo-7t-(2-phenyl-acetylamino)-(6rH)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester

Guidance literature:: aus Diphenylmethyl-2,2-dimethyl-6β-phenylacetamido-penam-3α-carboxylat-1β-oxid in Ggw. von Trichlorethylphosphat;

Reference yield:

: 41128-81-8
(6R,7R)-benzhydryl 3-(acetyloxymethyl)-8-oxo-7-(2-phenylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

: 29126-12-3
diphenylmethyl (6R-trans)-3-methyl-8-oxo-7-(phenylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

: (6R,7R)-3-Methylene-8-oxo-7-phenylacetylamino-5-thia-1-aza-bicyclo[4.2.0]octane-2-carboxylic acid benzhydryl ester

Guidance literature:: With indium; potassium iodide; In tetrahydrofuran; water; at 45 ℃; for 3h; Title compound not separated from byproducts;
DOI:10.1016/S0040-4039(00)00512-8