7-((Carboxy(4-hydroxyphenyl)acetyl)amino)-7-methoxy-(3-((1-methyl-1H-tetrazol-5-YL)thio)methyl)-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Base Information

• Chemical Name: 7-((Carboxy(4-hydroxyphenyl)acetyl)amino)-7-methoxy-(3-((1-methyl-1H-tetrazol-5-YL)thio)methyl)-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
• CAS No.: 64952-97-2
• Molecular Formula: C₂₀H₂₀N₆O₉S
• Molecular Weight: 520.48
• Wikidata: Q27095155
• Metabolomics Workbench ID: 148803
• ChEMBL ID: CHEMBL519374
• Mol file: 64952-97-2.mol

Synonyms:7-((CARBOXY(4-HYDROXYPHENYL)ACETYL)AMINO)-7-METHOXY-(3-((1-METHYL-1H-TETRAZOL-5-YL)THIO)METHYL)-8-OXO-5-OXA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLIC ACID;Prestwick3_000819;SCHEMBL49017;BSPBio_000717;BPBio1_000789;CHEMBL519374;CHEBI:94604;HY-B1484A;AKOS040744841;DB04342;PD006291;CS-0013700;BRD-K40831222-304-01-3;Q27095155;(6R,7R)-7-[[(2R)-2-Carboxy-2-(4-hydroxyphenyl)acetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Chemical Property of 7-((Carboxy(4-hydroxyphenyl)acetyl)amino)-7-methoxy-(3-((1-methyl-1H-tetrazol-5-YL)thio)methyl)-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Chemical Property:

• Melting Point: 117 - 122oC
• Refractive Index: 1.768
• Boiling Point: 836oC
• PSA: 231.60000
• Density: 1.77 g/cm³
• LogP: -0.79890
• Storage Temp.: 2-8°C
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 9
• Exact Mass: 520.10124741
• Heavy Atom Count: 36
• Complexity: 958

Purity/Quality:

98%,99%, ^*data from raw suppliers

Latamoxef 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)(NC(=O)C(C4=CC=C(C=C4)O)C(=O)O)OC)OC2)C(=O)O
• Isomeric SMILES: CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@](C3=O)(NC(=O)[C@@H](C4=CC=C(C=C4)O)C(=O)O)OC)OC2)C(=O)O
• Uses: Latamoxef is an oxacephem antibiotic usually grouped with the cephalosporins. An anti-bacterial agent. Anti-infective.

Technology Process of 7-((Carboxy(4-hydroxyphenyl)acetyl)amino)-7-methoxy-(3-((1-methyl-1H-tetrazol-5-YL)thio)methyl)-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

There total 5 articles about 7-((Carboxy(4-hydroxyphenyl)acetyl)amino)-7-methoxy-(3-((1-methyl-1H-tetrazol-5-YL)thio)methyl)-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-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:

C41H38N6O10S (70653-54-2) → moxalactam (64952-97-2,78997-87-2,79120-38-0,75007-71-5)

Guidance literature:

With trichloroacetic acid; In phenol; at 25 - 35 ℃; for 1.5h; Temperature; Solvent; Inert atmosphere;

Reference yield:

C46H46N6O11S → moxalactam (64952-97-2,78997-87-2,79120-38-0,75007-71-5)

Guidance literature:

With trichloroacetic acid; In phenol; at 25 - 35 ℃; for 2.5h; Solvent; Temperature; Inert atmosphere;

Reference yield:

C49H46N6O11S → moxalactam (64952-97-2,78997-87-2,79120-38-0,75007-71-5)

Guidance literature:

With trichloroacetic acid; In phenol; at 25 - 35 ℃; for 2h; Solvent; Temperature; Inert atmosphere;

upstream raw materials:

C₄₁H₃₈N₆O₁₀S

Downstream raw materials:

decarboxy-moxalactam

moxalactam (S)

Refernces