1,3-Dimethylcyclopentadiene

Base Information

• Chemical Name: 1,3-Dimethylcyclopentadiene
• CAS No.: 4045-53-8
• Molecular Formula: C7H10
• Molecular Weight: 94.1564
• UNII: CS9GR8P2I1
• DSSTox Substance ID: DTXSID00456442
• Nikkaji Number: J1.059.205D
• Wikidata: Q82278923
• Mol file: 4045-53-8.mol

Synonyms:1,3-dimethylcyclopentadiene;CS9GR8P2I1;1,3-Cyclopentadiene, 1,3-dimethyl-;4045-53-8;1,3-dimethyl-1,3-cyclopentadiene;UNII-CS9GR8P2I1;DTXSID00456442;YPEOCTSXLWIZSO-UHFFFAOYSA-N

Chemical Property of 1,3-Dimethylcyclopentadiene

Chemical Property:

• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 94.078250319
• Heavy Atom Count: 7
• Complexity: 127

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=CC1)C

Technology Process of 1,3-Dimethylcyclopentadiene

There total 5 articles about 1,3-Dimethylcyclopentadiene 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:

1,3-dimethylcyclopent-2-en-1-ol (23685-97-4) → 2,5-dimethyl-1,3-cyclopentadiene (4045-52-7) + 1,3-dimethylcyclopentadiene (4045-53-8) + dimethyl-2,5 cyclopentadiene (5602-47-1)

Guidance literature:

Title compound not separated from byproducts; Heating;

Reference yield:

(tetrahydro-5,5-dimethylfuran-3-yl)methanol (22600-85-7) → 4-methyl-1,3-pentadiene (926-56-7,54363-49-4) + 1,4-hexadiene (592-45-0) + trans-2-methyl-1,3-pentadiene (926-54-5) + 1,3-dimethylcyclopentadiene (4045-53-8)

Guidance literature:

aluminium; at 310 - 330 ℃; for 0.5h; Yield given. Yields of byproduct given;

Reference yield:

(tetrahydro-5,5-dimethylfuran-3-yl)methanol (22600-85-7) → 2-methyl-1,4-pentadiene (763-30-4) + 1,4-hexadiene (592-45-0) + trans-2-methyl-1,3-pentadiene (926-54-5) + 1,3-dimethylcyclopentadiene (4045-53-8)

Guidance literature:

aluminium; at 310 - 330 ℃; for 0.5h; Yield given. Yields of byproduct given;

upstream raw materials:

1,3-dimethylcyclopent-2-en-1-ol

(tetrahydro-5,5-dimethylfuran-3-yl)methanol

methanol

Downstream raw materials:

2,2,4,6,2',4',6'-octamethyl-1,2,3,5,1',2',3',5'-octahydro-1,1'-spirobipentalene

Refernces

• 1、 Wang, Chao,Xu, Jun,Qi, Guodong,Gong, Yanjun,Wang, Weiyu,Gao, Pan,Wang, Qiang,Feng, Ningdong,Liu, Xiaolong,Deng, Feng. "Methylbenzene hydrocarbon pool in methanol-to-olefins conversion over zeolite H-ZSM-5". . p. 127 - 137. Retrieved 2015/11/09.
• 2、 Infarnet, Yves,Accary, Armand,Huet, Jean. "Etude des transformations catalytiques sur alumine de β-tetrahydrofurylmethanols". . p. 261 - 266. Retrieved 2007/10/02.