1,3-Dimethyl cyclohexene

Base Information

• Chemical Name: 1,3-Dimethyl cyclohexene
• CAS No.: 2808-76-6
• Molecular Formula: C8H14
• Molecular Weight: 110.199
• UNII: D480RV240H
• DSSTox Substance ID: DTXSID50950804
• Nikkaji Number: J634.164K
• Mol file: 2808-76-6.mol

Synonyms:1,3-dimethylcyclohexene;1,3-Dimethyl cyclohexene;1,3-Dimethyl-1-cyclohexene;2808-76-6;Cyclohexene, 1,3-dimethyl-;D480RV240H;1,3-Dimethyl-3-cyclohexene;1,3-DIMETHYLCYCLOHEX-1-ENE;2,4-dimethyl-3-cyclohexene;UNII-D480RV240H;DTXSID50950804;AKOS006282592

Chemical Property of 1,3-Dimethyl cyclohexene

Chemical Property:

• Vapor Pressure: 14mmHg at 25°C
• Melting Point: -81.99°C (estimate)
• Refractive Index: 1.4471
• Boiling Point: 126.7°Cat760mmHg
• Flash Point: 12.8°C
• PSA: 0.00000
• Density: 0.8g/cm³
• LogP: 2.75270
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 110.109550447
• Heavy Atom Count: 8
• Complexity: 101

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCCC(=C1)C

Technology Process of 1,3-Dimethyl cyclohexene

There total 25 articles about 1,3-Dimethyl cyclohexene 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: 88.0%

m-xylene (108-38-3,104809-90-7) → 1,3-dimethylcyclohexane (638-04-0,2207-03-6,69685-67-2,69685-68-3,129939-72-6,129939-73-7,591-21-9) + 1,3-dimethylcyclohexene (2808-76-6) + 2,4-dimethylcyclohexene (2808-77-7)

Guidance literature:

With hydrogen; 1-butyl-3-methylimidazolium Tetrafluoroborate; Rh nanoparticles stabilized by poly(NVP-co-VBIMCl); at 75 ℃; for 12h; under 30402 Torr; Product distribution;

DOI:10.1016/j.jcat.2007.05.014

Reference yield: 58.0%

2,6-dimethylcyclohexanol (5337-72-4,39170-83-7) → 1,3-dimethylcyclohexene (2808-76-6)

Guidance literature:

With sulfuric acid; In water;

Reference yield:

methanol (67-56-1) → 1-methylcyclohex-1-ene (591-49-1) + 2-methyl-but-2-ene (513-35-9) + 3-methyl-2-pentene (922-61-2) + 5,5-dimethyl-1,3-hexadiene (1515-79-3) + 3,5-dimethylcyclohexene (823-17-6) + 1,2-dimethyl-cyclopropane (2511-95-7) + methyl-cyclopentane (96-37-7) + cis-1,2,3,3,-tetramethylcyclopropane (74752-93-5) + 1,3-dimethylcyclohexene (2808-76-6) + 4-methyl-1-methylidenecyclohexane (2808-80-2) + 1-methyl-2-methylene-cyclopentane (41158-41-2) + methyl cyclohexane (82166-21-0)

Guidance literature:

With HZSM-5 zeolite nanocatalyst; at 300 ℃; for 2.6h; Flow reactor;

DOI:10.1002/aoc.4133

upstream raw materials:

2-methyl-2,4-pentanediol

ethene

6-Methyl-hept-5-en-2-on

(E)-3-Ureido-but-2-enoic acid ethyl ester

Downstream raw materials:

1,3-dimethylcyclohexane

m-xylene

1,3-dimethyl-cis-1,2-epoxycyclohexane

1,3-dimethyl-trans-1,2-epoxycyclohexane

Refernces

• 1、 Xing, Shiyou,Lv, Pengmei,Wang, Jiayan,Fu, Junying,Fan, Pei,Yang, Lingmei,Yang, Gaixiu,Yuan, Zhenhong,Chen, Yong. "One-step hydroprocessing of fatty acids into renewable aromatic hydrocarbons over Ni/HZSM-5: Insights into the major reaction pathways". . p. 2961 - 2973. Retrieved 2017/02/05.
• 2、 Zhao, Chen,Wang, Han-zhi,Yan, Ning,Xiao, Chao-xian,Mu, Xin-dong,Dyson, Paul J.,Kou, Yuan. "Ionic-liquid-like copolymer stabilized nanocatalysts in ionic liquids: II. Rhodium-catalyzed hydrogenation of arenes". . p. 33 - 40. Retrieved 2008/09/18.