7-(((2-Amino-4-thiazolyl)hydroximinoacetyl)amino)-3-chloro-1-carba-1-dethia-3-cephem-4-carboxylic acid

Base Information

Chemical Name:7-(((2-Amino-4-thiazolyl)hydroximinoacetyl)amino)-3-chloro-1-carba-1-dethia-3-cephem-4-carboxylic acid
CAS No.:153502-35-3
Molecular Formula:C₁₃H₁₂ClN₅O₅S
Molecular Weight:385.788
Hs Code.:
Nikkaji Number:J567.057H
Mol file:153502-35-3.mol

Synonyms:7-(((2-amino-4-thiazolyl)hydroximinoacetyl)amino)-3-chloro-1-carba-1-dethia-3-cephem-4-carboxylic acid;LY 215890;LY-215890;LY215890

Suppliers and Price of 7-(((2-Amino-4-thiazolyl)hydroximinoacetyl)amino)-3-chloro-1-carba-1-dethia-3-cephem-4-carboxylic acid

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
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price

Total 1 raw suppliers

Chemical Property of 7-(((2-Amino-4-thiazolyl)hydroximinoacetyl)amino)-3-chloro-1-carba-1-dethia-3-cephem-4-carboxylic acid

Chemical Property:

Boiling Point:°Cat760mmHg
Flash Point:°C
Density:2.04g/cm³
XLogP3:1.2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:4
Exact Mass:385.0247674
Heavy Atom Count:25
Complexity:698

Purity/Quality:: 98% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CC(=C(N2C1C(C2=O)NC(=O)C(=NO)C3=CSC(=N3)N)C(=O)O)Cl
Isomeric SMILES:C1CC(=C(N2[C@H]1[C@@H](C2=O)NC(=O)/C(=N/O)/C3=CSC(=N3)N)C(=O)O)Cl

Technology Process of 7-(((2-Amino-4-thiazolyl)hydroximinoacetyl)amino)-3-chloro-1-carba-1-dethia-3-cephem-4-carboxylic acid

There total 5 articles about 7-(((2-Amino-4-thiazolyl)hydroximinoacetyl)amino)-3-chloro-1-carba-1-dethia-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: 38.0%

: 153502-34-2
(7S,6R)-7-<<2-<(tritylamino)-4-thiazolyl>trityloximinoacetyl>amino>-3-chloro-1-carba-1-dethia-3-cephem-4-carboxylic acid

: 153502-35-3
(7S,6R)-7-<<(2-amino-4-thiazolyl)hydroximinoacetyl>amino>-3-chloro-1-carba-1-dethia-3-cephem-4-carboxylic acid

Guidance literature:: With formic acid; In tetrahydrofuran; at 45 ℃; for 4h;
DOI:10.7164/antibiotics.46.1897

Reference yield:

: 123932-46-7
carbacephalosporin hydrochloride

: 153502-35-3
(7S,6R)-7-<<(2-amino-4-thiazolyl)hydroximinoacetyl>amino>-3-chloro-1-carba-1-dethia-3-cephem-4-carboxylic acid

Guidance literature:: Multi-step reaction with 3 steps

1: 384 mg / N-methylmorpholine / CH₂Cl₂ / 4 h / Ambient temperature

2: 62 percent / H₂O, NaHCO₃ / acetonitrile / 0.02 h / 45 °C

3: 38 percent / 50percent formic acid / tetrahydrofuran / 4 h / 45 °C

With 4-methyl-morpholine; formic acid; water; sodium hydrogencarbonate; In tetrahydrofuran; dichloromethane; acetonitrile;
DOI:10.7164/antibiotics.46.1897

Reference yield:

: 77813-61-7
(Z)-(2-tritylamino-thiazol-4yl)-2-trityloxyimino-acetic acid chloride

: 153502-35-3
(7S,6R)-7-<<(2-amino-4-thiazolyl)hydroximinoacetyl>amino>-3-chloro-1-carba-1-dethia-3-cephem-4-carboxylic acid

Guidance literature:: Multi-step reaction with 3 steps

1: 384 mg / N-methylmorpholine / CH₂Cl₂ / 4 h / Ambient temperature

2: 62 percent / H₂O, NaHCO₃ / acetonitrile / 0.02 h / 45 °C

3: 38 percent / 50percent formic acid / tetrahydrofuran / 4 h / 45 °C

With 4-methyl-morpholine; formic acid; water; sodium hydrogencarbonate; In tetrahydrofuran; dichloromethane; acetonitrile;
DOI:10.7164/antibiotics.46.1897