1,3-Dimethylcyclopentane

Base Information

• Chemical Name: 1,3-Dimethylcyclopentane
• CAS No.: 2453-00-1
• Molecular Formula: C7H14
• Molecular Weight: 98.1882
• Hs Code.: 2902199090
• European Community (EC) Number: 219-521-1
• DSSTox Substance ID: DTXSID10871849
• Nikkaji Number: J23.247E
• Mol file: 2453-00-1.mol

Synonyms:1,3-DIMETHYLCYCLOPENTANE;Cyclopentane, 1,3-dimethyl-;2453-00-1;EINECS 219-521-1;Cyclopentane,1,3-dimethyl-;tert-butyl-tert-octylamine;1,3-dimethyl-cyclopentane;DTXSID10871849;AKOS006227861;TRANS-1,3-DIMETHYL-CYCLOPENTANE;FT-0623883;FT-0696609

Chemical Property of 1,3-Dimethylcyclopentane

Chemical Property:

• Vapor Pressure: 48.2mmHg at 25°C
• Melting Point: -138.55°C
• Refractive Index: 1.4140
• Boiling Point: 97.2 °C at 760 mmHg
• Flash Point: °C
• PSA: 0.00000
• Density: 0.762 g/cm³
• LogP: 2.44250
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 98.109550447
• Heavy Atom Count: 7
• Complexity: 49.1

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Solvents -> Aliphatics, Saturated (
• Canonical SMILES: CC1CCC(C1)C

Technology Process of 1,3-Dimethylcyclopentane

There total 28 articles about 1,3-Dimethylcyclopentane 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: 11.0%

3-methyl-hexane (589-34-4) → 2,4-dimethylpentane (108-08-7) + 2-Methylhexane (591-76-4) + 2,3-dimethyl pentane (565-59-3) + n-heptane (142-82-5) + 1,3-dimethylcyclopentane (2453-00-1) + trans-1,2-dimethylcyclopentane (822-50-4)

Guidance literature:

With hydrogen; Pt/Al₂O₃; 5% platinum on alumina; at 340 ℃; under 765 Torr; Product distribution; Mechanism; var. temp., var. catalysts;

DOI:10.1039/f19807601735

Reference yield: 9.6%

2-Methylhexane (591-76-4) → 2,4-dimethylpentane (108-08-7) + 3-methyl-hexane (589-34-4) + n-heptane (142-82-5) + 1,3-dimethylcyclopentane (2453-00-1) + toluene (108-88-3,15644-74-3,16713-13-6)

Guidance literature:

With hydrogen; Pt-Al₂O₃-K; at 360 ℃; under 765 Torr; Product distribution; Mechanism; var. temp.; var. pH₂; var. catalyst;

DOI:10.1039/f19807601723

Reference yield: 6.88%

2,6-Dimethoxy-3-methylphenol (52244-30-1) → 1,3-dimethylcyclopentane (2453-00-1) + methyl cyclohexane (82166-21-0)

Guidance literature:

With hydrogen; In dodecane; at 300 ℃; for 1h; under 45004.5 Torr; Autoclave;

DOI:10.1039/c5cc06828b

upstream raw materials:

cis-1-isopropyl-4-methyl-cyclohexane

2-cyclobutyl-propan-2-ol

2,5-dimethylcyclopentanol

1-Methyl-3-vinyl-cyclopentan

Refernces

• 1、 Sun, Qianqian,Chen, Guanyi,Wang, Hua,Liu, Xiao,Han, Jinyu,Ge, Qingfeng,Zhu, Xinli. "Insights into the Major Reaction Pathways of Vapor-Phase Hydrodeoxygenation of m-Cresol on a Pt/HBeta Catalyst". . p. 551 - 561. Retrieved 2016/02/20.
• 2、 Kong, Jiechen,He, Mingyuan,Lercher, Johannes A.,Zhao, Chen. "Direct production of naphthenes and paraffins from lignin". supporting information. p. 17580 - 17583. Retrieved 2015/12/08.