3-Propylcyclohexanone

Base Information

• Chemical Name: 3-Propylcyclohexanone
• CAS No.: 69824-91-5
• Molecular Formula: C9H16O
• Molecular Weight: 140.225
• DSSTox Substance ID: DTXSID80551409
• Nikkaji Number: J160.209H
• Mol file: 69824-91-5.mol

Synonyms:3-propylcyclohexanone;69824-91-5;3-Propylcyclohexan-1-one;3-propyl-cyclohexan-1-one;SCHEMBL2692211;DTXSID80551409;JTWWWMMYLTUDHS-UHFFFAOYSA-N;AKOS013845141

Chemical Property of 3-Propylcyclohexanone

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 140.120115130
• Heavy Atom Count: 10
• Complexity: 118

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1CCCC(=O)C1

Technology Process of 3-Propylcyclohexanone

There total 17 articles about 3-Propylcyclohexanone 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: 79.0%

cyclohexenone (930-68-7) + propylmagnesium iodide (10557-57-0) → 3-n-propylcyclohexanone (69824-91-5)

Guidance literature:

propylmagnesium iodide; With copper(l) chloride; In diethyl ether; for 0.0833333h; cooling;

cyclohexenone; In diethyl ether; for 1h; cooling;

DOI:10.1016/S0223-5234(00)00153-7

Reference yield:

3-propyl-2-cyclohexen-1-one (6328-24-1) → 3-n-propylcyclohexanone (69824-91-5)

Guidance literature:

With hydrogen; palladium on activated charcoal;

DOI:10.1021/jo030253l

Reference yield:

3-isobutoxycyclohex-2-en-1-one (23074-59-1) → 3-n-propylcyclohexanone (69824-91-5)

Guidance literature:

Multi-step reaction with 2 steps

1.1: diethyl ether / 0.5 h / 20 °C

1.2: 3.1 g / H₂SO₄ / H₂O; diethyl ether

2.1: 3.1 g / hydrogen / Pd/C

With hydrogen; palladium on activated charcoal; In diethyl ether;

DOI:10.1021/jo030253l

upstream raw materials:

cyclohexenone

n-propylmagnesium bromide

morpholine

1-Chloropropane

Downstream raw materials:

(R)-(+)-3-Propylcyclohexanone

C₂₆H₃₆N₂O