trans-1,3-Dimethylcyclopentane

Base Information

• Chemical Name: trans-1,3-Dimethylcyclopentane
• CAS No.: 1759-58-6
• Molecular Formula: C7H14
• Molecular Weight: 98.1882
• Hs Code.: 2902199090
• European Community (EC) Number: 217-163-0
• NSC Number: 74148
• DSSTox Substance ID: DTXSID501015839
• Nikkaji Number: J238.599F
• Mol file: 1759-58-6.mol

Synonyms:trans-1,3-Dimethylcyclopentane;1759-58-6;(1R,3R)-1,3-dimethylcyclopentane;1,trans-3-Dimethylcyclopentane;Cyclopentane, 1,3-dimethyl-, trans-;EINECS 217-163-0;NSC 74148;Cyclopentane, 1,3-Dimethyl-, (E)-;Cyclopentane, 1,3-dimethyl-, (1R,3R)-rel-;t-1,3-dimethylcyclopentane;930-58-5;1,3-Dimethylcyclopentane, trans;Cyclopentane,3-dimethyl-, trans-;DTXSID501015839;NSC74148;NSC-74148;trans-(+)-1,3-Dimethylcyclopentane;(1R,3R)-1,3-dimethyl-cyclopentane;AKOS022181277;(1r)-trans-1,3-dimethyl-cyclopentane;J-500331

Chemical Property of trans-1,3-Dimethylcyclopentane

Chemical Property:

• Vapor Pressure: 60.4mmHg at 25°C
• Melting Point: -133.97°C
• Refractive Index: 1.4081
• Boiling Point: 91.7°Cat760mmHg
• Flash Point: °C
• PSA: 0.00000
• Density: 0.762g/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:

99%, ^*data from raw suppliers

trans-1,3-Dimethylcyclopentane(~70%) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Aliphatics, Saturated (
• Canonical SMILES: CC1CCC(C1)C
• Isomeric SMILES: C[C@@H]1CC[C@H](C1)C
• Uses: trans-1,3-Dimethylcyclopentane was one of the products after the biodegradation of crude oil.

Technology Process of trans-1,3-Dimethylcyclopentane

There total 20 articles about trans-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:

2,4-dimethylpentane (108-08-7) → 2-Methylhexane (591-76-4) + 2,3-dimethyl pentane (565-59-3) + 3-methyl-hexane (589-34-4) + cis-1,3-dimethylcyclopentane (2532-58-3) + trans-1,3-dimethylcyclopentane (1759-58-6) + toluene (108-88-3,15644-74-3,16713-13-6)

Guidance literature:

platinum; at 329.9 ℃; Product distribution; Kinetics; Thermodynamic data; rates of transformation and aromatization at fixed hydrocarbon pressure and various hydrogen partial pressure and other temperature; apparent activation energy for the aromatization in He carrier gas, thermodynamical equilibrium value for trans/cis...;

Reference yield:

6-bromo-2-methyl-1-hexene (1974-89-6) + 6-bromo-5-methylhex-1-ene (86549-16-8) → 2-Methylhexane (591-76-4) + 5-methyl-1-hexene (3524-73-0) + 2-methyl-1-hexene (6094-02-6) + 1,1-Dimethylcyclopentane (1638-26-2) + 3-methyl-methylenecyclopentane (53366-56-6) + trans-1,3-dimethylcyclopentane (1759-58-6)

Guidance literature:

With bis(cyclopentadienyl)titanium (III) chloride; magnesium; In diethyl ether; Mechanism; Product distribution; Ambient temperature; other bromoalkenes;

DOI:10.1016/0022-328X(94)05095-S

Reference yield:

1,3-dimethylcyclopentan-1-ol (19550-46-0) → cis-1,3-dimethylcyclopentane (2532-58-3) + trans-1,3-dimethylcyclopentane (1759-58-6)

Guidance literature:

With hydrogen; oxalic acid; platinum(IV) oxide; Multistep reaction; 1.) 130 - 160 deg C, 2.) acetic acid;

upstream raw materials:

3-methyl-cyclopentanone

methylmagnesium chloride

1,4-dimethylcyclopentene

2,4-dimethylpentane

Downstream raw materials:

methyl cyclohexane

1,2-dimethylcyclopentene

ethylcyclopentane

Refernces

• 1、 Satoh, Daishi,Matsuhashi, Hiromi,Nakamura, Hideo,Arata, Kazushi. "Isomerization of cycloheptane, cyclooctane, and cyclodecane catalyzed by sulfated zirconia - Comparison with open-chain alkanes". . p. 4343 - 4349. Retrieved 2007/10/03.
• 2、 Bailey, William F.,Khanolkar, Atmaram D.,Gavaskar, Kaustubh,Ovaska, Timo V.,Rossi, Kyllikki,Thiel, Yvonne,Wiberg, Kenneth B.. "Stereoselectivity of cyclization of substituted 5-hexen-1-yllithiums: Regiospecific and highly stereoselective insertion of an unactivated alkene into a C-Li bond". . p. 5720 - 5727. Retrieved 2007/10/02.