3-Bromo-2,4-dimethylpenta-1,3-diene

Base Information

• Chemical Name: 3-Bromo-2,4-dimethylpenta-1,3-diene
• CAS No.: 4773-87-9
• Molecular Formula: C7H11Br
• Molecular Weight: 175.068
• NSC Number: 168168
• DSSTox Substance ID: DTXSID90304908
• Nikkaji Number: J1.096.094K
• Mol file: 4773-87-9.mol

Synonyms:3-bromo-2,4-dimethylpenta-1,3-diene;4773-87-9;NSC168168;SCHEMBL12352415;DTXSID90304908;NSC-168168

Chemical Property of 3-Bromo-2,4-dimethylpenta-1,3-diene

Chemical Property:

• Vapor Pressure: 1.52mmHg at 25°C
• Boiling Point: 175.7°Cat760mmHg
• Flash Point: 70.2°C
• Density: 1.204g/cm³
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 174.00441
• Heavy Atom Count: 8
• Complexity: 127

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=C(C(=C)C)Br)C

Technology Process of 3-Bromo-2,4-dimethylpenta-1,3-diene

There total 8 articles about 3-Bromo-2,4-dimethylpenta-1,3-diene 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: 90.0%

2,2,3,3-tetramethyl-1,1-dibromocyclopropane (22715-57-7) → 3-bromo-2,4-dimethylpenta-1,3-diene (4773-87-9)

Guidance literature:

at 500 ℃;

DOI:10.1016/S0040-4039(01)00460-9

Reference yield: 90.0%

1,1-dibromo-2,2,3-trimethyl-3-[(phenyldimethylsilyl)methyl]cyclopropane → 3-bromo-2,4-dimethylpenta-1,3-diene (4773-87-9)

Guidance literature:

In N,N-dimethyl-formamide; at 110 ℃; for 4h;

DOI:10.1021/jo050142h

Reference yield: 84.0%

2,2,3,3-tetramethyl-1,1-dibromocyclopropane (22715-57-7) → 3-bromo-2,4-dimethylpenta-1,3-diene (4773-87-9) + 3-bromo-2,4-dimethyl-2-penten-4-ol (53422-93-8)

Guidance literature:

With copper; at 300 ℃; under 0.3 Torr; Yields of byproduct given;

upstream raw materials:

2,3-Dimethyl-2-butene

Bromoform

2,2,3,3-tetramethyl-1,1-dibromocyclopropane

furan

Downstream raw materials:

2-Brom-1,1,3-trimethyl-5,5,6,6-tetracyan-cyclohexen-⁽²⁾

3-bromo-2,2,4-trimethylcyclohex-3-ene carbonyl chloride

1-chloro-3-(pent-4-enyl)-2,2,4-trimethylcyclohex-3-ene-1-carbonitrile

(+)-methyl 3-bromo-5α-hydroxy-2,2,4-trimethylcyclohex-3-ene carboxylate