Ritipenem Acoxil

Base Information

• Chemical Name: Ritipenem Acoxil
• CAS No.: 87238-52-6
• Molecular Formula: C₁₃H₁₆N₂O₈S
• Molecular Weight: 360.345
• UNII: F975H7YQX9
• DSSTox Substance ID: DTXSID101101569
• Nikkaji Number: J472.287F
• Wikidata: Q27277840
• Mol file: 87238-52-6.mol

Synonyms:FCE 22891;FCE-22891

Chemical Property of Ritipenem Acoxil

Chemical Property:

• Vapor Pressure: 5.4E-20mmHg at 25°C
• Boiling Point: 656°C at 760 mmHg
• Flash Point: 350.6°C
• PSA: 171.75000
• Density: 1.57g/cm³
• LogP: -0.27910
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 9
• Exact Mass: 360.06273665
• Heavy Atom Count: 24
• Complexity: 619

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1C2N(C1=O)C(=C(S2)COC(=O)N)C(=O)OCOC(=O)C)O
• Isomeric SMILES: C[C@H]([C@@H]1[C@@H]2N(C1=O)C(=C(S2)COC(=O)N)C(=O)OCOC(=O)C)O

Technology Process of Ritipenem Acoxil

There total 21 articles about Ritipenem Acoxil 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: 76.0%

(5R,6S)-6-[(R)-1-(tert-Butyl-dimethyl-silanyloxy)-ethyl]-3-carbamoyloxymethyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylic acid acetoxymethyl ester (138471-46-2) → [14C]-FCE22891 (87238-52-6,99376-22-4)

Guidance literature:

With tetrabutyl ammonium fluoride; In tetrahydrofuran; acetic acid; Ambient temperature;

DOI:10.1016/S0040-4039(00)79192-1

Reference yield: 35.0%

(5R,6S)-6-Bromo-3-carbamoyloxymethyl-6-((R)-1-hydroxy-ethyl)-7-oxo-4-thia-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylic acid acetoxymethyl ester (127657-62-9) → [14C]-FCE22891 (87238-52-6,99376-22-4)

Guidance literature:

With ammonium acetate; zinc; In acetonitrile; at 25 ℃; for 0.5h;

Reference yield:

acetoxymethyl(5R,6S)-2-carbamoyloxymethyl-6-[1(R)-trichloroethoxycarbonyloxyethyl]-penem-3-carboxylate (92445-71-1) → [14C]-FCE22891 (87238-52-6,99376-22-4)

Guidance literature:

With zinc; In acetic acid;

DOI:10.1016/S0040-4039(01)80264-1

upstream raw materials:

(5R,6S)-3-Carbamoyloxymethyl-7-oxo-6-((R)-1-trimethylsilanyloxy-ethyl)-4-thia-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylic acid acetoxymethyl ester

acetoxymethyl(5R,6S)-2-carbamoyloxymethyl-6-[1(R)-trichloroethoxycarbonyloxyethyl]-penem-3-carboxylate

(5R,6S)-6-Bromo-3-carbamoyloxymethyl-6-((R)-1-hydroxy-ethyl)-7-oxo-4-thia-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylic acid acetoxymethyl ester

(5R,6S)-6-[(R)-1-(tert-Butyl-dimethyl-silanyloxy)-ethyl]-3-carbamoyloxymethyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylic acid acetoxymethyl ester

Downstream raw materials:

ritipenem

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