O-Formylcefamandole

Base Information

• Chemical Name: O-Formylcefamandole
• CAS No.: 57268-80-1
• Molecular Formula: C19H18 N6 O6 S2
• Molecular Weight: 490.521
• European Community (EC) Number: 260-657-6
• DSSTox Substance ID: DTXSID00205891
• Nikkaji Number: J283.118J
• Wikidata: Q27124137
• NCI Thesaurus Code: C47966
• Metabolomics Workbench ID: 58691
• ChEMBL ID: CHEMBL1201218
• Mol file: 57268-80-1.mol

Synonyms:cefamandole nafate;cefamandole nafate, monosodium salt, (6R-(6alpha,7beta(R*)))-isomer;cefamandole nafate, monosodium salt, 14C-labeled, (6R-(6alpha,7beta,(R*)))-isomer;Mandol

Chemical Property of O-Formylcefamandole

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 210.70000
• Density: 1.71g/cm³
• LogP: 1.36920
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 9
• Exact Mass: 490.07292466
• Heavy Atom Count: 33
• Complexity: 838

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)C(C4=CC=CC=C4)OC=O)SC2)C(=O)O
• Isomeric SMILES: CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)[C@@H](C4=CC=CC=C4)OC=O)SC2)C(=O)O

Technology Process of O-Formylcefamandole

There total 7 articles about O-Formylcefamandole 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:

cefamandole (65338-32-1,144125-09-7,34444-01-4) + formyl acetic anhydride (2258-42-6) → Cefamandole nafate (57268-80-1)

Guidance literature:

cefamandole; formyl acetic anhydride; With 1H-imidazole; In Isopropyl acetate; at 20 ℃; for 8h;

With sulfuric acid; water; In Isopropyl acetate; pH=2; Reagent/catalyst;

Reference yield:

D-2-phenyl-2-formyloxyacetyl chloride (29169-64-0) + C16H28N6O3S2Si2 (81589-17-5) → Cefamandole nafate (57268-80-1)

Guidance literature:

D-2-phenyl-2-formyloxyacetyl chloride; C₁₆H₂₈N₆O₃S₂Si₂; In dichloromethane; chloroform; N,N-dimethyl-aniline; at -5 ℃; for 4.5h;

With water; In dichloromethane; chloroform; N,N-dimethyl-aniline; at 13 - 20 ℃; for 0.5h; Temperature;

Reference yield:

isobutyric formic anhydride (10500-33-1) + cefamandole (65338-32-1,144125-09-7,34444-01-4) → Cefamandole nafate (57268-80-1)

Guidance literature:

With 1-methyl-1H-imidazole; at 20 ℃; for 8h;

upstream raw materials:

(6R,7R)-7-amino-3-[(1H-1-methyltetrazol-5-yl)thio]methylceph-3-em-4-carboxylic acid

cefamandole

formyl acetic anhydride

isobutyric formic anhydride

Downstream raw materials:

cefamandole nafate