7-((Aminobenzo(b)thien-3-ylacetyl)amino)-3-methyl-3-cephem-4-carboxylic acid

Base Information

Chemical Name:7-((Aminobenzo(b)thien-3-ylacetyl)amino)-3-methyl-3-cephem-4-carboxylic acid
CAS No.:92218-37-6
Molecular Formula:C₁₈H₁₇N₃O₄S₂
Molecular Weight:403.483
Hs Code.:
UNII:S50FK70SC7
Nikkaji Number:J23.013H

Synonyms:7-((aminobenzo(b)thien-3-ylacetyl)amino)-3-methyl-3-cephem-4-carboxylic acid;7-(3-benzothienylglycylamido)-3-methyl-3-cephem-4-carboxylic acid;7-BGMCC;LY 164846;LY 164846, (1:6R 2:6A,7B) - isomer;LY 164846, (1:R 2:6A,7B(S*)) - isomer;LY-164846

Suppliers and Price of 7-((Aminobenzo(b)thien-3-ylacetyl)amino)-3-methyl-3-cephem-4-carboxylic acid

Supply Marketing:

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

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Chemical Property of 7-((Aminobenzo(b)thien-3-ylacetyl)amino)-3-methyl-3-cephem-4-carboxylic acid

Chemical Property:

Vapor Pressure:2.61E-27mmHg at 25°C
Boiling Point:804.3°C at 760 mmHg
Flash Point:440.2°C
Density:1.58g/cm³
XLogP3:1.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:403.06604838
Heavy Atom Count:27
Complexity:713

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=C(N2C(C(C2=O)NC(=O)C(C3=CSC4=CC=CC=C43)N)SC1)C(=O)O
Isomeric SMILES:CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CSC4=CC=CC=C43)N)SC1)C(=O)O

Technology Process of 7-((Aminobenzo(b)thien-3-ylacetyl)amino)-3-methyl-3-cephem-4-carboxylic acid

There total 8 articles about 7-((Aminobenzo(b)thien-3-ylacetyl)amino)-3-methyl-3-cephem-4-carboxylic acid 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:

: 95834-70-1
p-nitrobenzyl (RS)-7-(3-benzothienylglycylamido)-3-methyl-3-cephem-4-carboxylate

: 92218-37-6
(R)-7-(3-benzothienylglycylamido)-3-methyl-3-cephem-4-carboxylic acid

: 92218-36-5
(S)-7-<(3-benzothienyl)glycylamido>-3-methyl-3-cephem-4-carboxylic acid

Guidance literature:: With hydrogenchloride; hydrogen; palladium on activated charcoal; In methanol; at 25 ℃; for 1.5h; under 3102.9 Torr;
DOI:10.1021/jm00150a024

Reference yield:

: 92138-24-4
(RS)-N-<(allyloxy)carbonyl>-3-benzothienylglycine

: 92218-37-6
(R)-7-(3-benzothienylglycylamido)-3-methyl-3-cephem-4-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 99 percent / N-(ethoycarbonyl)-2-ethoxy-1,2-dihydroquinoline (EEDQ) / tetrahydrofuran; acetonitrile / 16 h / 25 °C

2: 1.) palladium tetraacetate, triphenylphosphine, 2.) tributyltin hydride / 1.) acetone, 5 deg C, 10 min, 2.) acetone, 0-5 deg C, 1 h

With tri-n-butyl-tin hydride; palladium diacetate; N-ethoxycarbonyl-2-ethoxy-1,2-dihydroquinoline; triphenylphosphine; In tetrahydrofuran; acetonitrile;
DOI:10.1021/jm00150a022

Reference yield:

: 92138-30-2
allyl 7-amino-3-methyl-3-cephem-4-carboxylate

: 92218-37-6
(R)-7-(3-benzothienylglycylamido)-3-methyl-3-cephem-4-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 99 percent / N-(ethoycarbonyl)-2-ethoxy-1,2-dihydroquinoline (EEDQ) / tetrahydrofuran; acetonitrile / 16 h / 25 °C

2: 1.) palladium tetraacetate, triphenylphosphine, 2.) tributyltin hydride / 1.) acetone, 5 deg C, 10 min, 2.) acetone, 0-5 deg C, 1 h

With tri-n-butyl-tin hydride; palladium diacetate; N-ethoxycarbonyl-2-ethoxy-1,2-dihydroquinoline; triphenylphosphine; In tetrahydrofuran; acetonitrile;
DOI:10.1021/jm00150a022