3-Bromo-2-methylbut-1-ene

Base Information

• Chemical Name: 3-Bromo-2-methylbut-1-ene
• CAS No.: 51872-48-1
• Molecular Formula: C5H9Br
• Molecular Weight: 149.02900
• DSSTox Substance ID: DTXSID70593070
• Mol file: 51872-48-1.mol

Synonyms:3-Bromo-2-methylbut-1-ene;51872-48-1;1-Butene, 3-bromo-2-methyl-;SCHEMBL4626556;DTXSID70593070;HUWROFPLFCTNEQ-UHFFFAOYSA-N;EN300-97230

Chemical Property of 3-Bromo-2-methylbut-1-ene

Chemical Property:

• Melting Point: -106.7°C (estimate)
• Refractive Index: 1.4600
• Boiling Point: 114.3°C (estimate)
• PSA: 0.00000
• Density: 1.2300
• LogP: 2.34590
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 147.98876
• Heavy Atom Count: 6
• Complexity: 57

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)Br

Technology Process of 3-Bromo-2-methylbut-1-ene

There total 1 articles about 3-Bromo-2-methylbut-1-ene 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-methyl-3-buten-2-ol (10473-14-0) → 3-bromo-2-methyl-1-methyl-1-propene (57253-29-9,57253-30-2,41178-84-1) + 3-bromo-2-methylbut-1-ene (51872-48-1)

Guidance literature:

With 1-bromo-N,N,2-trimethyl-1-propen-1-amine; In chloroform-d1; at 0 - 20 ℃; for 0.5h; Inert atmosphere;

DOI:10.1016/j.tet.2021.132148

Reference yield:

3-bromo-2-methylbut-1-ene (51872-48-1) + C17H17NO6 → C22H27NO6

Guidance literature:

C₁₇H₁₇NO₆; With indium; sodium iodide; In N,N-dimethyl-formamide; at 25 ℃; for 0.166667h;

3-bromo-2-methylbut-1-ene; In N,N-dimethyl-formamide; at 25 ℃; for 14h;

upstream raw materials:

3-methyl-3-buten-2-ol

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