(-)-Indoprofen

Base Information

• Chemical Name: (-)-Indoprofen
• CAS No.: 53086-14-9
• Molecular Formula: C17H15 N O3
• Molecular Weight: 281.311
• European Community (EC) Number: 258-352-8
• UNII: B6NVN79HWF
• DSSTox Substance ID: DTXSID301317455
• Nikkaji Number: J295.882A
• Wikidata: Q27274444
• ChEMBL ID: CHEMBL264931
• Mol file: 53086-14-9.mol

Synonyms:(-)-indoprofen;(R)-INDOPROFEN;53086-14-9;Indoprofen (-)-;UNII-B6NVN79HWF;B6NVN79HWF;EINECS 258-352-8;(2R)-2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]propanoic acid;r-indoprofen;(R)-2-(4-(1,3-Dihydro-1-oxo-2H-isoindol-2-yl)phenyl)propionic acid;(R)-2-[4-(1,3-DIHYDRO-1-OXO-2H-ISOINDOL-2-YL)PHENYL]PROPIONIC ACID;CAS-31842-01-0;INDOPROFEN, (-)-;CHEMBL264931;SCHEMBL5419435;DTXSID301317455;INDOPROFEN (-)-FORM [MI];BDBM50478349;NCGC00016808-01;Q27274444;(R)-4-(1,3-dihydro-1-oxo-2H-isoindol-2-yl)-alpha-methylbenzeneacetic acid;(R)-4-[(1,3-Dihydro-1-oxo-2H-isoindol)-2-yl]-alpha-methylbenzeneacetic acid;BENZENEACETIC ACID, 4-(1,3-DIHYDRO-1-OXO-2H-ISOINDOL-2-YL)-.ALPHA.-METHYL-, (R)-;BENZENEACETIC ACID, 4-(1,3-DIHYDRO-1-OXO-2H-ISOINDOL-2-YL)-.ALPHA.-METHYL-, (.ALPHA.R)-

Chemical Property of (-)-Indoprofen

Chemical Property:

• Vapor Pressure: 2.82E-11mmHg at 25°C
• Melting Point: 205-207°
• Boiling Point: 511.3°Cat760mmHg
• Flash Point: 263°C
• PSA: 57.61000
• Density: 1.308g/cm³
• LogP: 3.10010
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 281.10519334
• Heavy Atom Count: 21
• Complexity: 414

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC=C(C=C1)N2CC3=CC=CC=C3C2=O)C(=O)O
• Isomeric SMILES: C[C@H](C1=CC=C(C=C1)N2CC3=CC=CC=C3C2=O)C(=O)O

Technology Process of (-)-Indoprofen

There total 1 articles about (-)-Indoprofen 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:

indoprofen (31842-01-0,53022-60-9) → (S)-indoprofen (53086-13-8,53022-60-9) + (2R)-2-[4-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)phenyl]propanoic acid (53086-14-9,53022-60-9)

Guidance literature:

With phosphate buffer; sodium dodecyl-sulfate; vancomycin; at 20 ℃; Product distribution; electrophoretic enantioseparations, various substrates;

DOI:10.1021/ac00109a030

Reference yield:

1,1'-carbonyldiimidazole (530-62-1) + (2R)-2-[4-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)phenyl]propanoic acid (53086-14-9,53022-60-9) → indoprofen imidazolide (709040-35-7)

Guidance literature:

In tetrahydrofuran; at 20 ℃; for 2h;

Reference yield:

(2R)-2-[4-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)phenyl]propanoic acid (53086-14-9,53022-60-9) + tert-butyl 3-amino-5-cyclopropyl-1H-pyrazole-1-carboxylate (326827-13-8) → 5-cyclopropyl-3-{2-[4-(1-oxo-1,3-dihydro-isoindol-2-yl)-phenyl]-propionylamino}-pyrazole-1-carboxylic acid tert-butyl ester

Guidance literature:

(2R)-2-[4-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)phenyl]propanoic acid; With N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; In dichloromethane; N,N-dimethyl-formamide; at 0 ℃; for 1h;

tert-butyl 3-amino-5-cyclopropyl-1H-pyrazole-1-carboxylate; In dichloromethane; N,N-dimethyl-formamide; at 0 - 20 ℃;

DOI:10.1021/jm0408870

upstream raw materials:

indoprofen

Downstream raw materials:

indoprofen imidazolide

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