Dicyclohexylacetic acid

Base Information

• Chemical Name: Dicyclohexylacetic acid
• CAS No.: 52034-92-1
• Molecular Formula: C14H24O2
• Molecular Weight: 224.343
• Hs Code.: 2916209090
• European Community (EC) Number: 625-968-7
• DSSTox Substance ID: DTXSID90394783
• Mol file: 52034-92-1.mol

Synonyms:Dicyclohexylacetic acid;2,2-dicyclohexylacetic Acid;52034-92-1;MFCD00075017;DICYCLOHEXYLACETICACID;Hexahydro-diphenylessig;dicyclohexyl acetic acid;dicyclohexyl-acetic acid;SCHEMBL66996;Dicyclohexylacetic acid, 99%;a-Cyclohexylcyclohexaneacetic acid;DTXSID90394783;PGGMEZOUAPIYOY-UHFFFAOYSA-N;CCA03492;BBL102740;STL556546;AKOS005259567;MS-20494;CS-0140613;FT-0683969;E79083;EN300-7416338;1,1'-Dicyclohexyl methane-4,4'-dicarboxylic acid;A871091

Chemical Property of Dicyclohexylacetic acid

Chemical Property:

• Vapor Pressure: 6.14E-06mmHg at 25°C
• Melting Point: 139-141 °C(lit.)
• Refractive Index: 1.506
• Boiling Point: 353.2°C at 760 mmHg
• PKA: 4.81±0.10(Predicted)
• Flash Point: 172.6°C
• PSA: 37.30000
• Density: 1.04g/cm³
• LogP: 3.84780
• Water Solubility.: Sparingly soluble in water.(0.26 g/L) (25°C),
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 224.177630004
• Heavy Atom Count: 16
• Complexity: 207

Purity/Quality:

98%,99%, ^*data from raw suppliers

Dicyclohexylacetic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)C(C2CCCCC2)C(=O)O
• Uses: It is used as pharmaceutical intermediate. Benzoylthiophenes are allosteric enhancers (AE) of agonist activity at the A1 adenosine receptor. Dicyclohexylacetic acid was used in the synthesis of 2,2-dicyclohexyl-1-(4′-methyl)-phenylethanone. It was also used in the synthesis of catena-poly [[trimethyltin (IV)]--2, 2-dicyclohexylacetato-2O: O′].

Technology Process of Dicyclohexylacetic acid

There total 18 articles about Dicyclohexylacetic 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:

cyclohexylmagnesium bromide (931-50-0) → dicyclohexylacetic acid (52034-92-1)

Guidance literature:

Multi-step reaction with 3 steps

1: diethyl ether

2: oxalic acid / 112 - 118 °C

3: silver oxide; alcohol / 100 °C / im Rohr

With diethyl ether; ethanol; oxalic acid; silver(l) oxide;

Reference yield:

dicyclohexyl-hydroxy-acetic acid (6313-70-8) → dicyclohexylacetic acid (52034-92-1)

Guidance literature:

With hydrogen iodide; acetic acid;

Reference yield:

2,2-diphenylacetic acid (117-34-0) → dicyclohexylacetic acid (52034-92-1)

Guidance literature:

With platinum; Hydrogenation;

upstream raw materials:

2,2-diphenylacetic acid

2-cyclohexyl-2-phenylacetic acid

dicyclohexyl-hydroxy-acetic acid

2-ethoxy-1,1-dicyclohexyl-ethanol

Downstream raw materials:

dicyclohexyl-acetic acid-(2-diethylamino-ethyl ester)

Decan-1,10-diyl-bisdicyclohexylacetat

dicyclohexylacetic acid chloride

6,7-dichloro-3-dicyclohexylmethyl-2⁽⁴⁾H-benzo[1,2,4]thiadiazine 1,1-dioxide

Refernces