3-Propylcyclohex-2-en-1-one

Base Information

• Chemical Name: 3-Propylcyclohex-2-en-1-one
• CAS No.: 6328-24-1
• Molecular Formula: C9H14 O
• Molecular Weight: 138.21
• NSC Number: 43651
• DSSTox Substance ID: DTXSID80286062
• Nikkaji Number: J1.092.329H
• Wikidata: Q82021652
• Mol file: 6328-24-1.mol

Synonyms:3-propylcyclohex-2-en-1-one;6328-24-1;3-propyl-2-cyclohexen-1-one;NSC 43651;NSC43651;3-Propyl-2-cyclohexene-1-one;SCHEMBL3936524;DTXSID80286062;NSC-43651;AKOS014505322

Chemical Property of 3-Propylcyclohex-2-en-1-one

Chemical Property:

• Vapor Pressure: 0.112mmHg at 25°C
• Boiling Point: 220.6°C at 760 mmHg
• Flash Point: 88.8°C
• PSA: 17.07000
• Density: 0.931g/cm³
• LogP: 2.46590
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 138.104465066
• Heavy Atom Count: 10
• Complexity: 156

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1=CC(=O)CCC1
• Uses: 3-Propyl-2-cyclohexenone is used as a reagent in the iron-catalyzed enantioselective epoxidation of cyclic aliphatic enones with aqueous H2O2

Technology Process of 3-Propylcyclohex-2-en-1-one

There total 16 articles about 3-Propylcyclohex-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: 97.0%

1-propylcyclohex-2-en-1-ol (115834-54-3) → 3-propyl-2-cyclohexen-1-one (6328-24-1)

Guidance literature:

With laccase from Trametes versicolor; oxygen; 2,2,6,6-tetramethylpiperidine-1-oxoammonium tetrafluoroborate; In dimethyl sulfoxide; at 30 ℃; for 24h; under 760.051 Torr; pH=5.2; Schlenk technique; Enzymatic reaction;

DOI:10.1002/adsc.201800299

Reference yield: 90.0%

7-Propyl-7-(toluene-4-sulfonyl)-1,4-dioxa-spiro[4.5]decane (82235-20-9) → 3-propyl-2-cyclohexen-1-one (6328-24-1)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran; at 50 ℃; for 4h;

DOI:10.1246/cl.1982.165

Reference yield: 82.0%

→ 3-propyl-2-cyclohexen-1-one (6328-24-1)

Guidance literature:

upstream raw materials:

3-Ethoxycyclohex-2-en-1-one

n-propylmagnesium bromide

nonane-2,6-dione

3-vinyl-cyclohex-2-enone

Downstream raw materials:

3-n-propylcyclohexanone

Acetic acid 3-propyl-cyclohex-2-enyl ester

(R)-(+)-3-Propylcyclohexanone

(S)-(-)-3-Propylcyclohexanone