5-cyclohexyl-2,3-dihydro-1H-indene-1-carboxylic acid

Base Information

• Chemical Name: 5-cyclohexyl-2,3-dihydro-1H-indene-1-carboxylic acid
• CAS No.: 31962-05-7
• Molecular Formula: C16H20 O2
• Molecular Weight: 244.334
• UNII: EM3RL46YYL
• DSSTox Substance ID: DTXSID20951585
• Mol file: 31962-05-7.mol

Synonyms:5-cyclohexylindan-1-carboxylic acid;BL 2365;BL 2365, (+)-isomer;BL 2365, (+-)-isomer;BL 2365, sodium salt;BL-2365

Chemical Property of 5-cyclohexyl-2,3-dihydro-1H-indene-1-carboxylic acid

Chemical Property:

• XLogP3: 4.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 244.146329876
• Heavy Atom Count: 18
• Complexity: 306

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)C2=CC3=C(C=C2)C(CC3)C(=O)O

Technology Process of 5-cyclohexyl-2,3-dihydro-1H-indene-1-carboxylic acid

There total 11 articles about 5-cyclohexyl-2,3-dihydro-1H-indene-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: 95.0%

5-Cyclohexyl-1-indancarbonitrile (52487-42-0) → 5-Cyclohexyl-1-indancarboxylic acid (31962-05-7,28968-05-0)

Guidance literature:

With potassium hydroxide; ethanol; for 13h; Heating;

Reference yield:

(+/-)-5-Cyclohexyl-3-oxo-1-indancarbonsaeure (28968-04-9) → 5-Cyclohexyl-1-indancarboxylic acid (31962-05-7,28968-05-0)

Guidance literature:

With perchloric acid; hydrogen; palladium on activated charcoal; In acetic acid;

DOI:10.1021/jm00282a024

Reference yield:

5-Cyclohexyl-1-indanone (38240-91-4) → 5-Cyclohexyl-1-indancarboxylic acid (31962-05-7,28968-05-0)

Guidance literature:

Multi-step reaction with 3 steps

1: tetrahydrofuran / Ambient temperature

2: H₂ / Pd/C / ethyl acetate / 2206.5 Torr

3: 95 percent / KOH, EtOH / 13 h / Heating

With potassium hydroxide; ethanol; hydrogen; palladium on activated charcoal; In tetrahydrofuran; ethyl acetate;

upstream raw materials:

5-Cyclohexyl-1-indancarbonitrile

1,3 dithiane

5-Cyclohexyl-1-indanone

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

Downstream raw materials:

Ethyl 5-cyclohexyl-1-indancarboxylate

(+/-)-5-Cyclohexyl-6-fluorindan-1-carbonsaeure

(+/-)-5-Cyclohexyl-4-hydroxyindan-1-carbonsaeure

(+/-)-5-Cyclohexyl-1-hydroxyacetylindan