1,3-Cyclopentadiene, 1,2,3,4,5,5-hexamethyl-

Base Information

• Chemical Name: 1,3-Cyclopentadiene, 1,2,3,4,5,5-hexamethyl-
• CAS No.: 4087-50-7
• Molecular Formula: C11H18
• Molecular Weight: 150.264
• Hs Code.: 2902199090
• DSSTox Substance ID: DTXSID30193838
• Nikkaji Number: J910.014H
• Wikidata: Q83066563
• Mol file: 4087-50-7.mol

Synonyms:4087-50-7;1,3-Cyclopentadiene, 1,2,3,4,5,5-hexamethyl-;hexamethylcyclopentadiene;DTXSID30193838;1,2,3,4,5,5-hexamethyl-cyclopenta-1,3-diene

Chemical Property of 1,3-Cyclopentadiene, 1,2,3,4,5,5-hexamethyl-

Chemical Property:

• Vapor Pressure: 1.63mmHg at 25°C
• Boiling Point: 174.3°C at 760 mmHg
• Flash Point: 48.3°C
• PSA: 0.00000
• Density: 0.809g/cm³
• LogP: 3.69900
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 150.140850574
• Heavy Atom Count: 11
• Complexity: 223

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(C(=C1C)C)(C)C)C

Technology Process of 1,3-Cyclopentadiene, 1,2,3,4,5,5-hexamethyl-

There total 11 articles about 1,3-Cyclopentadiene, 1,2,3,4,5,5-hexamethyl- 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: 82.0%

1,2,3,4,5-pentamethylcyclopentadiene (4045-44-7) + methyl iodide (74-88-4) → 1,2,3,4,5,5-Hexamethyl-cyclopenta-1,3-diene (4087-50-7)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; hexane; at 0 ℃; for 3h; Inert atmosphere;

DOI:10.1002/chem.202005427

Reference yield: 65.0%

cyclopenta-1,3-diene (542-92-7,25568-84-7,7313-32-8) + methyl iodide (74-88-4) → 1,2,3,4,5,5-Hexamethyl-cyclopenta-1,3-diene (4087-50-7)

Guidance literature:

With 2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin; 4,4'-dihexyl-4,4'-bipyridinium salt; sodium hydride; In tetrahydrofuran; at 60 ℃; for 96h;

DOI:10.1016/S0040-4039(00)93552-4

Reference yield: 55.0%

potassium pentamethylcyclopentadiene (94348-92-2) + methyl iodide (74-88-4) → 1,2,3,4,5,5-Hexamethyl-cyclopenta-1,3-diene (4087-50-7)

Guidance literature:

upstream raw materials:

dimethyl sulfate

sodium cyclopentadienylide

1,2,3,4,5-pentamethylcyclopentadiene

methyl iodide

Downstream raw materials:

cycloheptatrienyl

1,2,3,4,7,7-hexamethylbicyclo<2.2.1>hept-2-ene-5,6-dicarboxylic acid p-nitrophenylimide