(1S)-(+)-6-Chloro-5-cyclohexylindan-1-carboxylic acid

Base Information

• Chemical Name: (1S)-(+)-6-Chloro-5-cyclohexylindan-1-carboxylic acid
• CAS No.: 28968-09-4
• Molecular Formula: C16H19 Cl O2
• Molecular Weight: 0
• UNII: 12PU8IR205
• DSSTox Substance ID: DTXSID701031178
• Nikkaji Number: J21.273C
• Wikidata: Q27251428
• Mol file: 28968-09-4.mol

Synonyms:(S)-(+)-Clidanac;Clidanac, (+)-;d-TAI-284;28968-09-4;(S)-clidanac;(1S)-(+)-6-Chloro-5-cyclohexylindan-1-carboxylic acid;UNII-12PU8IR205;12PU8IR205;(+)-6-Chloro-5-cyclohexylindan-1-carboxylic acid;1-Indancarboxylic acid, 6-chloro-5-cyclohexyl-, (+)-;(+)-TAI-284;(+)-CLIDANAC;CLIDANAC, (S)-;DTXSID701031178;CLIDANAC (S)-(+)-FORM [MI];LS-81077;1-Indancarboxylic acid, 6-chloro-5-cyclohexyl-, ()-;Q27251428;1H-Indene-1-carboxylic acid, 6-chloro-5-cyclohexyl-2,3-dihydro-, (1S)-;1H-Indene-1-carboxylic acid, 6-chloro-5-cyclohexyl-2,3-dihydro-,(S)-

Chemical Property of (1S)-(+)-6-Chloro-5-cyclohexylindan-1-carboxylic acid

Chemical Property:

• Vapor Pressure: 5.84E-08mmHg at 25°C
• Boiling Point: 424.4°Cat760mmHg
• Flash Point: 210.5°C
• PSA: 37.30000
• Density: 1.244g/cm³
• LogP: 4.50210
• XLogP3: 5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 278.1073575
• Heavy Atom Count: 19
• Complexity: 338

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)C2=C(C=C3C(CCC3=C2)C(=O)O)Cl
• Isomeric SMILES: C1CCC(CC1)C2=C(C=C3[C@H](CCC3=C2)C(=O)O)Cl

Technology Process of (1S)-(+)-6-Chloro-5-cyclohexylindan-1-carboxylic acid

There total 5 articles about (1S)-(+)-6-Chloro-5-cyclohexylindan-1-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:

(4-cyclohexyl-phenyl)-succinic acid anhydride (36414-05-8) → (S)-(+)-clidanac (28968-09-4,28968-07-2)

Guidance literature:

Multi-step reaction with 3 steps

1: AlCl₃ / CH₂Cl₂

2: H₂, aq. HClO₄ / Pd-C / acetic acid

3: N-chloro-succinimide / dimethylformamide

With N-chloro-succinimide; aluminium trichloride; perchloric acid; hydrogen; palladium on activated charcoal; In dichloromethane; acetic acid; N,N-dimethyl-formamide;

DOI:10.1021/jm00282a024

Reference yield:

(+/-)-5-Cyclohexyl-3-oxo-1-indancarbonsaeure (28968-04-9) → (S)-(+)-clidanac (28968-09-4,28968-07-2)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂, aq. HClO₄ / Pd-C / acetic acid

2: N-chloro-succinimide / dimethylformamide

With N-chloro-succinimide; perchloric acid; hydrogen; palladium on activated charcoal; In acetic acid; N,N-dimethyl-formamide;

DOI:10.1021/jm00282a024

Reference yield:

5-Cyclohexyl-1-indancarboxylic acid (31962-05-7,28968-05-0) → (S)-(+)-clidanac (28968-09-4,28968-07-2)

Guidance literature:

With N-chloro-succinimide; In N,N-dimethyl-formamide;

DOI:10.1021/jm00282a024

upstream raw materials:

5-Cyclohexyl-1-indancarboxylic acid

3-Oxo-5-cyclohexyl-6-chlorindan-1-carbonsaeure

(4-cyclohexyl-phenyl)-succinic acid anhydride

(+/-)-5-Cyclohexyl-3-oxo-1-indancarbonsaeure