2-Propylcyclohexanone

Base Information

• Chemical Name: 2-Propylcyclohexanone
• CAS No.: 94-65-5
• Deprecated CAS: 64870-42-4
• Molecular Formula: C9H16 O
• Molecular Weight: 140.225
• Hs Code.: 2914299000
• European Community (EC) Number: 202-351-7
• NSC Number: 54015
• DSSTox Substance ID: DTXSID20870429
• Nikkaji Number: J113.867G
• Mol file: 94-65-5.mol

Synonyms:2-PROPYLCYCLOHEXANONE;94-65-5;Cyclohexanone, 2-propyl-;2-propylcyclohexan-1-one;EINECS 202-351-7;NSC 54015;2-propyl-cyclohexanone;Cyclohexanone, propyl-;2-PROPYL CYCLOHEXANONE;NSC54015;2-propylcyclohexanon;SCHEMBL420230;OCJLPZCBZSCVCO-UHFFFAOYSA-;DTXSID20870429;MFCD00019464;NSC-54015;AKOS009157714;CS-0205078;FT-0631478;P1114;D92072;EN300-258698;F8882-5405

Chemical Property of 2-Propylcyclohexanone

Chemical Property:

• Vapor Pressure: 0.429mmHg at 25°C
• Melting Point: 32.57°C (estimate)
• Refractive Index: 1.4510 to 1.4540
• Boiling Point: 198°C
• Flash Point: 69.2°C
• PSA: 17.07000
• Density: 0,91 g/cm3
• LogP: 2.54580
• XLogP3: 2.4
• 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:

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

2-Propylcyclohexanone >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Statements: 10
• Safety Statements: 16

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1CCCCC1=O
• Uses: 2-Propylcyclohexanone is commonly used for chemoselective reactions.

Technology Process of 2-Propylcyclohexanone

There total 51 articles about 2-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: 98.0%

2-allylcyclohexan-1-one (94-66-6) → 2-(n-propyl)cyclohexanone (94-65-5)

Guidance literature:

With 1,4-dioxane; bis(1,5-cyclooctadiene)diiridium(I) dichloride; 1,2-bis-(dicyclohexylphosphino)ethane; at 130 ℃; for 10h; chemoselective reaction; Inert atmosphere; Sealed tube;

DOI:10.1021/acs.orglett.9b01989

Reference yield: 86.0%

((S)-2-Methoxymethyl-pyrrolidin-1-yl)-[2-propyl-cyclohex-(Z)-ylidene]-amine (72170-97-9) → 2-(n-propyl)cyclohexanone (94-65-5)

Guidance literature:

With copper dichloride; In tetrahydrofuran; for 14h;

DOI:10.1080/00397919908085731

Reference yield: 62.0%

1-tri(n-butyl)stannyloxy-1-cyclohexene (17851-97-7) + propyl bromide (106-94-5) → 2-(n-propyl)cyclohexanone (94-65-5)

Guidance literature:

With tetrabutylammomium bromide; In toluene; at 80 ℃; for 6h;

DOI:10.1021/ja972190s

upstream raw materials:

1-(1-Cyclohexen-1-yl)pyrrolidine

1-iodo-propane

2-propylidenecyclohexanone

ethanol

Downstream raw materials:

trans-2-n-propylcyclohexanol

2-n-propylcyclohexanol

2-allyl-2-propylcyclohexanone

2-(2,2-Dimethoxy-acetyl)-6-propyl-cyclohexanone