2,3-Dibutyl-1,3-butadiene

Base Information

• Chemical Name: 2,3-Dibutyl-1,3-butadiene
• CAS No.: 5731-93-1
• Molecular Formula: C12H22
• Molecular Weight: 166.307
• DSSTox Substance ID: DTXSID30469343
• Nikkaji Number: J1.959.643E
• Wikidata: Q82297012
• Mol file: 5731-93-1.mol

Synonyms:2,3-dibutyl-1,3-butadiene;5731-93-1;dibutylbutadiene;5,6-dimethylene-decane;DTXSID30469343

Chemical Property of 2,3-Dibutyl-1,3-butadiene

Chemical Property:

• XLogP3: 6.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 7
• Exact Mass: 166.172150702
• Heavy Atom Count: 12
• Complexity: 124

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(=C)C(=C)CCCC

Technology Process of 2,3-Dibutyl-1,3-butadiene

There total 3 articles about 2,3-Dibutyl-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:

3-phenyl-propionaldehyde (104-53-0) + 2-iodohex-1-ene (54145-19-6) → 2-butyl-5-phenyl-pent-1-en-3-ol + 2,3-di-n-butyl-buta-1,3-diene (5731-93-1)

Guidance literature:

With manganese; zirconocene dichloride; C₄₂H₅₀Cl₅CrN₄NiO₈Si; lithium chloride; In 1,2-dimethoxyethane; at 20 ℃; for 2h; Inert atmosphere;

DOI:10.1021/ol202878v

Reference yield:

3-phenyl-propionaldehyde (104-53-0) + 2-iodohex-1-ene (54145-19-6) → 2,3-di-n-butyl-buta-1,3-diene (5731-93-1) + (S)-4-Methylene-1-phenyl-octan-3-ol + (R)-4-Methylene-1-phenyl-octan-3-ol

Guidance literature:

With chromium dichloride; manganese; zirconocene dichloride; (CH₃)2CHC₃H₃ONC₆H₃(NHSO₂C₆H₃Cl₂)OCH₃; DMP*NiCl₂; N,N,N',N'-tetramethyl-1,8-diaminonaphthalene; lithium chloride; In acetonitrile; for 5h; optical yield given as %ee; Inert atmosphere;

DOI:10.1021/ja9079308

Reference yield:

hex-1-yne (693-02-7) → (5E,7E)-5,7-dodecadiene (30651-68-4) + 2-butyl-octa-1,3t-diene (61063-95-4) + 1,3,5-tributylbenzene (841-07-6) + 1,2,4-tributylbenzene (14800-16-9) + 2,3-di-n-butyl-buta-1,3-diene (5731-93-1)

Guidance literature:

With hydrogen; (1+); In pyridine; under 68400.1 Torr; Product distribution; Ambient temperature; different pressure;

upstream raw materials:

hex-1-yne

3-phenyl-propionaldehyde

2-iodohex-1-ene