Methyl 2-(2-(1,3-benzothiazol-2-yldithio)-3-(benzoylamino)-4-oxo-1-azetidinyl)-3-methyl-4-oxo-2-butenoate

Base Information

Chemical Name:Methyl 2-(2-(1,3-benzothiazol-2-yldithio)-3-(benzoylamino)-4-oxo-1-azetidinyl)-3-methyl-4-oxo-2-butenoate
CAS No.:59503-80-9
Molecular Formula:C₂₃H₁₉N₃O₅S₃
Molecular Weight:513.619
Hs Code.:
NSC Number:294768

Synonyms:59503-80-9;NSC294768;NSC 294768;Methyl 2-(2-(1,3-benzothiazol-2-yldithio)-3-(benzoylamino)-4-oxo-1-azetidinyl)-3-methyl-4-oxo-2-butenoate;NSC-294768;methyl (Z)-2-[3-benzamido-2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxo-azetidin-1-yl]-3-methyl-4-oxo-but-2-enoate

Suppliers and Price of Methyl 2-(2-(1,3-benzothiazol-2-yldithio)-3-(benzoylamino)-4-oxo-1-azetidinyl)-3-methyl-4-oxo-2-butenoate

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 4 raw suppliers

Chemical Property of Methyl 2-(2-(1,3-benzothiazol-2-yldithio)-3-(benzoylamino)-4-oxo-1-azetidinyl)-3-methyl-4-oxo-2-butenoate

Chemical Property:

Boiling Point:°Cat760mmHg
Flash Point:°C
Density:1.5g/cm³
XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:9
Exact Mass:513.04868424
Heavy Atom Count:34
Complexity:848

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=C(C(=O)OC)N1C(C(C1=O)NC(=O)C2=CC=CC=C2)SSC3=NC4=CC=CC=C4S3)C=O
Isomeric SMILES:C/C(=C(\C(=O)OC)/N1C(C(C1=O)NC(=O)C2=CC=CC=C2)SSC3=NC4=CC=CC=C4S3)/C=O

Technology Process of Methyl 2-(2-(1,3-benzothiazol-2-yldithio)-3-(benzoylamino)-4-oxo-1-azetidinyl)-3-methyl-4-oxo-2-butenoate

There total 3 articles about Methyl 2-(2-(1,3-benzothiazol-2-yldithio)-3-(benzoylamino)-4-oxo-1-azetidinyl)-3-methyl-4-oxo-2-butenoate 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:

: 58482-84-1
(6R)-7t-benzoylamino-3-methyl-8-oxo-(6rH)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid methyl ester

: 59503-80-9
(Z)-2-((2R)-2r-benzothiazol-2-yldisulfanyl-3c-benzoylamino-4-oxo-azetidin-1-yl)-3-methyl-4-oxo-but-2-enoic acid methyl ester

Guidance literature:: Multi-step reaction with 3 steps

1: tBuOCl / CH₂Cl₂ / 0 °C

2: MCPBA / CHCl₃ / 1 h

3: CHCl₃ / 0.67 h / Heating

With tert-butylhypochlorite; 3-chloro-benzenecarboperoxoic acid; In dichloromethane; chloroform;
DOI:10.1248/cpb.25.2082

Reference yield:

: 59503-87-6
(6R)-7t-benzoylamino-4c-ethoxy-3-methyl-8-oxo-(6rH)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid methyl ester

: 59503-80-9
(Z)-2-((2R)-2r-benzothiazol-2-yldisulfanyl-3c-benzoylamino-4-oxo-azetidin-1-yl)-3-methyl-4-oxo-but-2-enoic acid methyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: MCPBA / CHCl₃ / 1 h

2: CHCl₃ / 0.67 h / Heating

With 3-chloro-benzenecarboperoxoic acid; In chloroform;
DOI:10.1248/cpb.25.2082