4,4-Dipropylcyclohex-2-en-1-one

Base Information

• Chemical Name: 4,4-Dipropylcyclohex-2-en-1-one
• CAS No.: 60729-41-1
• Molecular Formula: C12H20O
• Molecular Weight: 180.29
• Hs Code.: 2914299000
• DSSTox Substance ID: DTXSID10403422
• Mol file: 60729-41-1.mol

Synonyms:4,4-dipropylcyclohex-2-en-1-one;60729-41-1;4,4-DI-N-PROPYLCYCLOHEXENONE;4,4-Dipropylcyclohex-2-enone;4,4 dipropylcyclohex-2-enone;4,4-Dipropyl-2-cyclohexenone;SCHEMBL2974744;4,4-Dipropyl-cyclohex-2-enone;DTXSID10403422;HKTMYZCCZPTLFL-UHFFFAOYSA-N;MFCD00269983;AKOS006271654;FT-0667701

Chemical Property of 4,4-Dipropylcyclohex-2-en-1-one

Chemical Property:

• Boiling Point: 60-61°C/0.5 mm
• PSA: 17.07000
• LogP: 3.49210
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 180.151415257
• Heavy Atom Count: 13
• Complexity: 197

Purity/Quality:

99% ^*data from raw suppliers

4,4-Dipropylcyclohex-2-enone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1(CCC(=O)C=C1)CCC
• Uses: 4,4-Dipropylcyclohex-2-enone is used for the preparation of N-substituted phenylacetamide derivatives as therapeutic agents for pains and inflammations.

Technology Process of 4,4-Dipropylcyclohex-2-en-1-one

There total 2 articles about 4,4-Dipropylcyclohex-2-en-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: 68.0%

epoxy-1,2 propyl-2 pentane (98560-25-9) + 2-propylpentanal (18295-59-5) → 4,4-dipropylcyclohex-2-en-1-one (60729-41-1)

Guidance literature:

With sulfuric acid; In benzene; for 10h; Heating;

DOI:10.1021/jm00173a010

Reference yield:

→ 4,4-dipropylcyclohex-2-en-1-one (60729-41-1)

Guidance literature:

entspr. Keton 4, entspr. Morpholinoverb. 7 -> 8, 1) MVK, 2) H+ -> 9, -H2O -> 10;

DOI:10.1021/jo00882a035

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

upstream raw materials:

epoxy-1,2 propyl-2 pentane

2-propylpentanal

Downstream raw materials:

4,4-di-n-propylcyclohexanone

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

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

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