2-Tert-butyl-1,3-butadiene

Base Information

• Chemical Name: 2-Tert-butyl-1,3-butadiene
• CAS No.: 2495-32-1
• Molecular Formula: C8H14
• Molecular Weight: 110.199
• DSSTox Substance ID: DTXSID501298508
• Nikkaji Number: J381.059C
• Mol file: 2495-32-1.mol

Synonyms:4,4-dimethyl-3-methylene-1-pentene;2-t-butyl-1,3-butadiene;2-tert-butyl-1,3-butadiene;DTXSID501298508;2495-32-1

Chemical Property of 2-Tert-butyl-1,3-butadiene

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 110.109550447
• Heavy Atom Count: 8
• Complexity: 102

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C(=C)C=C

Technology Process of 2-Tert-butyl-1,3-butadiene

There total 1 articles about 2-Tert-butyl-1,3-butadiene 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:

tertiary butyl chloride (507-20-0) + buta-2,3-dien-1-yl diethyl phosphate (89228-81-9) → tetramethyl-2,2,3,3 butane (594-82-1) + 4,4-dimethyl-3-methylenepent-1-ene (2495-32-1)

Guidance literature:

Yield given. Multistep reaction. Yields of byproduct given;

Reference yield: 90.0%

4,4-dimethyl-3-methylenepent-1-ene (2495-32-1) + (R)-1-(1-phenylethyl)-1H-pyrrole-2,5-dione (60925-76-0,89143-10-2,94132-27-1,6129-15-3) → (3aS,7aR)-5-tert-Butyl-2-((R)-1-phenyl-ethyl)-3a,4,7,7a-tetrahydro-isoindole-1,3-dione (138118-36-2,138233-02-0)

Guidance literature:

titanium tetrachloride; In dichloromethane; at -65 ℃; for 36h;

DOI:10.1016/S0040-4039(00)79415-9

Reference yield: 90.0%

4,4-dimethyl-3-methylenepent-1-ene (2495-32-1) → 1-tert-Butyl-5-(2,2-dimethyl-1-methylene-propyl)-cyclohexene (95675-30-2) + 1-tert-Butyl-4-(2,2-dimethyl-1-methylene-propyl)-cyclohexene (95675-29-9)

Guidance literature:

With bis(1,5-cyclooctadiene)nickel ⁽⁰⁾; In toluene; at 60 ℃; for 6h; Title compound not separated from byproducts;

upstream raw materials:

tertiary butyl chloride

buta-2,3-dien-1-yl diethyl phosphate

Downstream raw materials:

4-tert-butyl-1-isopropyl-cyclohex-3-enecarboxylic acid

4-tert-butyl-1-methyl-cyclohex-3-enecarboxylic acid

3-Chlor-4-fluor-tert.-butylbenzol

4-tert-Butyl-3-cyclohexen-1-ol