4,4-Dipropylcyclohexan-1-one

Base Information

• Chemical Name: 4,4-Dipropylcyclohexan-1-one
• CAS No.: 123018-62-2
• Molecular Formula: C12H22O
• Molecular Weight: 182.30200
• Hs Code.: 2914299000
• DSSTox Substance ID: DTXSID00379763
• Wikidata: Q82169722
• Mol file: 123018-62-2.mol

Synonyms:4,4-dipropylcyclohexan-1-one;123018-62-2;4,4-Dipropylcyclohexanone;4,4-di-n-propylcyclohexanone;MFCD00269982;4-dipropylcyclohexanone;4,4-dipropyl-1-cyclohexanone;SCHEMBL2223307;DTXSID00379763;RPZMJERYWZOQJX-UHFFFAOYSA-N;4,4-di-N-propylcyclohexanone, AldrichCPR;CS-0442769;FT-0642995;A805006

Chemical Property of 4,4-Dipropylcyclohexan-1-one

Chemical Property:

• Vapor Pressure: 0.027mmHg at 25°C
• Boiling Point: 246.5oC at 760 mmHg
• Flash Point: 95.6oC
• PSA: 17.07000
• Density: 0.87g/cm3
• LogP: 3.71610
• Storage Temp.: Refrigerator
• Solubility.: Chloroform, Ethyl Acetate
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 182.167065321
• Heavy Atom Count: 13
• Complexity: 154

Purity/Quality:

97% ^*data from raw suppliers

4,4-Di-n-propylcyclohexanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1(CCC(=O)CC1)CCC
• Uses: 4,4-Di-N-propylcyclohexanone is used for the preparation of N-substituted phenylacetamide derivatives as therapeutic agents for pains and inflammations. Used for the preparation of N-substituted phenylacetamide derivatives as therapeutic agents for pain and inflammation.

Technology Process of 4,4-Dipropylcyclohexan-1-one

There total 2 articles about 4,4-Dipropylcyclohexan-1-one 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: 98.0%

4,4-dipropylcyclohex-2-en-1-one (60729-41-1) → 4,4-di-n-propylcyclohexanone (123018-62-2)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethyl acetate; for 5h; under 2585.7 Torr; Ambient temperature;

DOI:10.1021/jm00173a010

Reference yield:

→ 4,4-di-n-propylcyclohexanone (123018-62-2)

Guidance literature:

Reference yield: 89.0%

4,4-di-n-propylcyclohexanone (123018-62-2) + ethyl 2-cyanoacetate (105-56-6) → ethyl α-cyano-α-(4,4-dipropylcyclohexylidene)acetate (130065-93-9)

Guidance literature:

With ammonium acetate; acetic acid; In toluene; Heating;

DOI:10.1021/jm00173a010

upstream raw materials:

4,4-dipropylcyclohex-2-en-1-one

Downstream raw materials:

ethyl α-cyano-α-(4,4-dipropylcyclohexylidene)acetate

4,4-dipropyl-1-carboxycyclohexane-1-acetic acid anhydride

(1-Carboxymethyl-4,4-dipropyl-cyclohexyl)-acetic acid

4,4-dipropyl-1-carboxycyclohexane-1-acetic acid