2,4-dibromobutanoyl Bromide

Base Information

• Chemical Name: 2,4-dibromobutanoyl Bromide
• CAS No.: 52412-07-4
• Molecular Formula: C4H5Br3O
• Molecular Weight: 308.795
• DSSTox Substance ID: DTXSID10461401
• Nikkaji Number: J1.164.671I
• Mol file: 52412-07-4.mol

Synonyms:2,4-dibromobutanoyl Bromide;52412-07-4;2,4-DIBROMOBUTYRYL BROMIDE;Butanoyl bromide, 2,4-dibromo-;2,4-dibromobutyrylbromide;2,4-dibromobutyroyl bromide;2,4- dibromobutyryl bromide;SCHEMBL2082092;2,4-dibromobutyric acid bromide;DTXSID10461401;DMXVIRCAGMRKKJ-UHFFFAOYSA-N;AKOS016012180;FT-0742904

Chemical Property of 2,4-dibromobutanoyl Bromide

Chemical Property:

• Boiling Point: 120-125 °C(Press: 20 Torr)
• Density: 2.346±0.06 g/cm3(Predicted)
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 307.78700
• Heavy Atom Count: 8
• Complexity: 83.4

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,4-DIBROMOBUTANOYL BROMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CBr)C(C(=O)Br)Br

Technology Process of 2,4-dibromobutanoyl Bromide

There total 3 articles about 2,4-dibromobutanoyl Bromide 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: 89.0%

→ 2,4-dibromo-butyryl bromide (52412-07-4)

Guidance literature:

Reference yield: 68.0%

4-butanolide (96-48-0) → 2,4-dibromo-butyryl bromide (52412-07-4)

Guidance literature:

With phosphorus; bromine; at 80 ℃; for 3.5h;

DOI:10.1016/0040-4020(96)00668-0

Reference yield:

4-butanolide (96-48-0) + bromine (7726-95-6) → 2,4-dibromo-butyryl bromide (52412-07-4)

Guidance literature:

DOI:10.1021/ja01624a056

upstream raw materials:

4-butanolide

bromine

Downstream raw materials:

methyl 2,4-dibromobutanoate

ethyl 2,4-dibromobutyrate

2,4-dibromo-butyric acid

α,γ-Dibromo-p-phenylbutyrophenon