4-Bromobuta-1,2-diene

Base Information

• Chemical Name: 4-Bromobuta-1,2-diene
• CAS No.: 18668-68-3
• Molecular Formula: C4H5Br
• Molecular Weight: 132.988
• DSSTox Substance ID: DTXSID70447105
• Nikkaji Number: J781.622G
• ChEMBL ID: CHEMBL226728
• Mol file: 18668-68-3.mol

Synonyms:18668-68-3;4-bromo-buta-1,2-diene;4-bromobuta-1,2-diene;1,2-Butadiene, 4-bromo-;4-bromo-1,2-butadiene;CHEMBL226728;SCHEMBL1171552;DTXSID70447105;EN300-7569795

Chemical Property of 4-Bromobuta-1,2-diene

Chemical Property:

• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 131.95746
• Heavy Atom Count: 5
• Complexity: 50.7

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=C=CCBr

Technology Process of 4-Bromobuta-1,2-diene

There total 1 articles about 4-Bromobuta-1,2-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:

3-buten-1-yne (689-97-4) → 2-bromo-1,3-butadiene (1822-86-2) + 4-bromo-buta-1,2-diene (18668-68-3) + 1,3-dibromo-but-2-ene (64930-16-1)

Guidance literature:

DOI:10.1021/ja01334a028

Reference yield: 100.0%

4-bromo-buta-1,2-diene (18668-68-3) + 3-methoxy-2-hydroxybenzaldehyde (148-53-8) → 2-(buta-2,3-dienyloxy)-3-methoxybenzaldehyde (1043422-10-1)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃;

DOI:10.1021/ol800806a

Reference yield: 93.0%

4-bromo-buta-1,2-diene (18668-68-3) + ethyl 2-trifluoromethanesulfonyloxycyclohex-1-enecarboxylate (122135-83-5) → 2-(1-methylene-allyl)cyclohex-1-enecarboxylic acid ethyl ester (1154051-42-9)

Guidance literature:

4-bromo-buta-1,2-diene; With indium; lithium iodide; In N,N-dimethyl-formamide; at 20 ℃; for 0.5h; Inert atmosphere;

ethyl 2-trifluoromethanesulfonyloxycyclohex-1-enecarboxylate; With tris(dibenzylideneacetone)dipalladium⁽⁰⁾ chloroform complex; In N,N-dimethyl-formamide; at 100 ℃; for 1h; Inert atmosphere;

DOI:10.1039/b823037d

upstream raw materials:

3-buten-1-yne

Downstream raw materials:

2-bromo-1,3-butadiene

2-benzyl-1,3-butadiene

1-p-Chlorphenylthio-buta-2,3-dien

7-(2'-bromophenyl)-5,5-bis(ethoxycarbonyl)-1,2-heptadiene