(S)-Zaltoprofen

Base Information

• Chemical Name: (S)-Zaltoprofen
• CAS No.: 89482-01-9
• Molecular Formula: C₁₇H₁₄O₃S
• Molecular Weight: 298.362
• UNII: 6MG32PF05M
• Wikidata: Q27265158
• Mol file: 89482-01-9.mol

Synonyms:(S)-Zaltoprofen;Zaltoprofen, (S)-;Zaltoprofen (S)-form [MI];UNII-6MG32PF05M;6MG32PF05M;89482-01-9;Dibenzo(b,f)thiepin-2-acetic acid, 10,11-dihydro-alpha-methyl-10-oxo-, (alphaS)-;SCHEMBL12244150;Q27265158;DIBENZO(B,F)THIEPIN-2-ACETIC ACID, 10,11-DIHYDRO-.ALPHA.-METHYL-10-OXO-, (.ALPHA.S)-

Chemical Property of (S)-Zaltoprofen

Chemical Property:

• Melting Point: 129.5-131°
• PSA: 79.67000
• LogP: 3.76470
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 298.06636548
• Heavy Atom Count: 21
• Complexity: 422

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)C2)C(=O)O
• Isomeric SMILES: C[C@@H](C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)C2)C(=O)O

Technology Process of (S)-Zaltoprofen

There total 3 articles about (S)-Zaltoprofen 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:

zaltoprofen (74711-43-6) → (S)-zaltoprofen (89482-01-9,74711-43-6)

Guidance literature:

zaltoprofen; With (S)-1-phenyl-ethylamine; In methanol; for 0.5h; Reflux;

In methanol; Reflux;

Reference yield:

zaltoprofen (74711-43-6) → (S)-zaltoprofen (89482-01-9,74711-43-6) + (R)-zaltoprofen (89482-03-1,74711-43-6)

Guidance literature:

Multi-step reaction with 2 steps

1: sulfuric acid / 5 h / 60 °C

2: esterase variant Est_{816A216F/F142Y/A149L/K238N} / aq. phosphate buffer; dimethyl sulfoxide / 40 °C / Enzymatic reaction

With sulfuric acid; In aq. phosphate buffer; dimethyl sulfoxide;

DOI:10.1039/d1cy01028j

Reference yield:

C19H18O3S → (S)-zaltoprofen (89482-01-9,74711-43-6) + (R)-zaltoprofen (89482-03-1,74711-43-6)

Guidance literature:

With esterase variant Est_{816A216F/F142Y/A149L/K238N}; In aq. phosphate buffer; dimethyl sulfoxide; at 40 ℃; enantioselective reaction; Enzymatic reaction;

DOI:10.1039/d1cy01028j

upstream raw materials:

zaltoprofen

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