4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-6-[(4-methylbenzoyl)amino]-7-oxo-, diphenylmethyl ester, 4-oxide, [2S-(2alpha,5alpha,6alpha)]-

Base Information

Chemical Name:4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-6-[(4-methylbenzoyl)amino]-7-oxo-, diphenylmethyl ester, 4-oxide, [2S-(2alpha,5alpha,6alpha)]-
CAS No.:82468-41-5
Molecular Formula:C29 H28 N2 O5 S
Molecular Weight:516.618
Hs Code.:
European Community (EC) Number:617-336-4
DSSTox Substance ID:DTXSID201100469

4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-6-[(4-methylbenzoyl)amino]-7-oxo-, diphenylmethyl ester, 4-oxide, [2S-(2alpha,5alpha,6alpha)]-

Synonyms:DTXSID201100469;4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-6-[(4-methylbenzoyl)amino]-7-oxo-, diphenylmethyl ester, 4-oxide, [2S-(2alpha,5alpha,6alpha)]-;82468-41-5

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Chemical Property of 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-6-[(4-methylbenzoyl)amino]-7-oxo-, diphenylmethyl ester, 4-oxide, [2S-(2alpha,5alpha,6alpha)]-

Chemical Property:

XLogP3:4.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:516.17189317
Heavy Atom Count:37
Complexity:884

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=C(C=C1)C(=O)NC2C3N(C2=O)C(C(S3=O)(C)C)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5
Isomeric SMILES:CC1=CC=C(C=C1)C(=O)N[C@@H]2[C@@H]3N(C2=O)[C@H](C(S3=O)(C)C)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5

Technology Process of 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-6-[(4-methylbenzoyl)amino]-7-oxo-, diphenylmethyl ester, 4-oxide, [2S-(2alpha,5alpha,6alpha)]-

There total 14 articles about 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-6-[(4-methylbenzoyl)amino]-7-oxo-, diphenylmethyl ester, 4-oxide, [2S-(2alpha,5alpha,6alpha)]- 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: 94.8%

: 91-01-0
1,1-Diphenylmethanol

: 81016-97-9
6β-(4-toluamido)penicillanic acid 1-oxide

: 67977-95-1,77887-68-4,80756-34-9,82468-41-5,81075-79-8
diphenylmethyl 6β-(4-toluamido)penicillate 1-oxide

Guidance literature:: With pyridine; 1,3,5-trichloro-2,4,6-triazine; In dichloromethane; at -20 - -15 ℃; for 1.33333h;
DOI:10.3987/COM-90-5565