1,1,2-Trimethylcyclopentane

Base Information

• Chemical Name: 1,1,2-Trimethylcyclopentane
• CAS No.: 4259-00-1
• Molecular Formula: C8H16
• Molecular Weight: 112.215
• Hs Code.: 2902199090
• DSSTox Substance ID: DTXSID50871065
• Nikkaji Number: J44.138D
• Mol file: 4259-00-1.mol

Synonyms:1,1,2-Trimethylcyclopentane;Camphocean;4259-00-1;TRIMETHYLCYCLOPENTANE;Cyclopentane, 1,1,2-trimethyl-;Cyclopentane, trimethyl-;30498-64-7;DTXSID50871065;WINCSBAYCULVDU-UHFFFAOYSA-N;AKOS006273267

Chemical Property of 1,1,2-Trimethylcyclopentane

Chemical Property:

• Vapor Pressure: 27mmHg at 25°C
• Melting Point: -21.64°C
• Refractive Index: 1.4205
• Boiling Point: 111.2°Cat760mmHg
• Flash Point: 6.4°C
• PSA: 0.00000
• Density: 0.762g/cm³
• LogP: 2.83260
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 112.125200510
• Heavy Atom Count: 8
• Complexity: 82

Purity/Quality:

99%min ^*data from raw suppliers

1,1,2-TRIMETHYLCYCLOPENTANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCCC1(C)C

Technology Process of 1,1,2-Trimethylcyclopentane

There total 5 articles about 1,1,2-Trimethylcyclopentane 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:

1,1-dimethyl-5-hexenyl chloride (34986-80-6) → 6-methylhept-1-ene (5026-76-6) + 6-methyl-1,5-heptadiene (7270-50-0) + 1,1,2-trimethylcyclopentane (4259-00-1) + 1,1-dimethylcyclohexane (590-66-9)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride; In benzene; at 80 ℃; for 8h; Title compound not separated from byproducts;

DOI:10.1016/S0040-4020(01)97982-7

Reference yield:

6-bromo-5,5-dimethyl-1-hexene (15424-05-2) → 6-methylhept-1-ene (5026-76-6) + 1,1,2-trimethylcyclopentane (4259-00-1) + 1,1-dimethylcyclohexane (590-66-9)

Guidance literature:

With di-tert-butyl peroxide; tributylgermanium hydride; In various solvent(s); at -103.1 ℃; Rate constant; Irradiation; var. temp.;

DOI:10.1021/jo00392a003

Reference yield:

hydrogenchloride (7647-01-0,15364-23-5) + ethyl-cyclohexane (1678-91-7) → 1,1,2-trimethylcyclopentane (4259-00-1) + 1-ethyl-1-methyl-cyclopentane (16747-50-5) + (1R,2S,4S)-1,2,4-Trimethyl-cyclopentane (4850-28-6)

Guidance literature:

at 130 - 250 ℃; Isomerisierung;

upstream raw materials:

6-bromo-5,5-dimethyl-1-hexene

1,1-dimethyl-5-hexenyl chloride

2,2,3-trimethylpentane

hydrogenchloride

Downstream raw materials:

2,2-dimethylglutaric acid

o-xylene

para-xylene

m-xylene

Refernces

• 1、 Lusztyk, J.,Maillard, B.,Deycard, S.,Lindsay, D. A.,Ingold, K. U.. "Kinetics for the Reaction of a Secondary Alkyl Radical with Tri-n-butylgermanium Hydride and Calibration of a Secondary Alkyl Radical Clock Reaction". . p. 3509 - 3514. Retrieved 2007/10/02.
• 2、 Ashby, E. C.,Bowers, Joseph R.. "Organometallic Reaction Mechanisms. 17. Nature of Alkyl Transfer in Reactions of Grignard Reagents with Ketones. Evidence for Radical Intermediates in the Formation of 1,2-Addition Product Involving Tertiary and Primary Grignard Reagents". . p. 2242 - 2250. Retrieved 2007/10/02.