1,6,6-Trimethyl-3-tert-butyl-fulvene

Base Information

• Chemical Name: 1,6,6-Trimethyl-3-tert-butyl-fulvene
• CAS No.: 334696-50-3
• Molecular Formula: C13H20
• Molecular Weight: 176.302
• Hs Code.: 2902199090
• DSSTox Substance ID: DTXSID30376427
• Wikidata: Q82165358
• Mol file: 334696-50-3.mol

Synonyms:1,6,6-Trimethyl-3-tert-butyl-fulvene;334696-50-3;3-tert-butyl-1-methyl-5-propan-2-ylidenecyclopenta-1,3-diene;3-tert-butyl-1-methyl-5-(propan-2-ylidene)cyclopenta-1,3-diene;DTXSID30376427;UNGLAWCETLUCRC-UHFFFAOYSA-N;3-tert-Butyl-1,6,6-trimethylfulvene;AKOS006294650;FT-0690916

Chemical Property of 1,6,6-Trimethyl-3-tert-butyl-fulvene

Chemical Property:

• Vapor Pressure: 0.0854mmHg at 25°C
• Boiling Point: 233.4oC at 760 mmHg
• Flash Point: 83oC
• PSA: 0.00000
• Density: 0.884g/cm3
• LogP: 4.25520
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 176.156500638
• Heavy Atom Count: 13
• Complexity: 299

Purity/Quality:

98%min ^*data from raw suppliers

1,6,6-TRIMETHYL-3-TERT-BUTYL-FULVENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,6,6-Trimethyl-3-tert-butyl-fulvene

There total 2 articles about 1,6,6-Trimethyl-3-tert-butyl-fulvene 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-methyl-3-t-butyl-1,3-cyclopentadiene (773080-45-8) + acetone (67-64-1) → 1,6,6'-trimethyl-3-tert-butylfulvene (334696-50-3)

Guidance literature:

With pyrrolidine; In methanol; for 96h;

Reference yield:

pyrrolidine (123-75-1) + 1-tert-butyl-3-methylcyclopentadiene (150295-91-3) → 1,6,6'-trimethyl-3-tert-butylfulvene (334696-50-3)

Guidance literature:

In methanol; diethyl ether; water; acetone;

Reference yield: 91.0%

1,6,6'-trimethyl-3-tert-butylfulvene (334696-50-3) + C27H29(1-)*Li(1+) → C40H50 (857074-90-9)

Guidance literature:

In tetrahydrofuran; diethyl ether; at 20 ℃; for 3h;

upstream raw materials:

1-methyl-3-t-butyl-1,3-cyclopentadiene

acetone

pyrrolidine

1-tert-butyl-3-methylcyclopentadiene

Downstream raw materials:

C₄₀H₅₀

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