2,4-Dibromobutanoic acid

Base Information

• Chemical Name: 2,4-Dibromobutanoic acid
• CAS No.: 63164-16-9
• Molecular Formula: C4H6Br2O2
• Molecular Weight: 245.898
• Hs Code.: 2915900090
• DSSTox Substance ID: DTXSID80513522
• Wikidata: Q209198
• Mol file: 63164-16-9.mol

Synonyms:2,4-Dibromobutanoic acid;63164-16-9;2,4-Dibromobutyric acid;2,4-Dibromo-butyric acid;MFCD01632493;Butanoic acid, 2,4-dibromo-;2,4-Dibromobutanoicacid;SCHEMBL197999;alpha,gamma-dibromobutyric acid;DTXSID80513522;OFBPRWUYMOUQML-UHFFFAOYSA-N;BCP25367;AKOS022172430;SB38033;BS-32643;CS-0340260;FT-0609987;Q209198

Chemical Property of 2,4-Dibromobutanoic acid

Chemical Property:

• Vapor Pressure: 0.000406mmHg at 25°C
• Refractive Index: 1.561
• Boiling Point: 294.1 °C at 760 mmHg
• PKA: 2.66±0.10(Predicted)
• Flash Point: 131.6 °C
• PSA: 37.30000
• Density: 2.121 g/cm³
• LogP: 1.61950
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 245.87141
• Heavy Atom Count: 8
• Complexity: 84.1

Purity/Quality:

98%min ^*data from raw suppliers

2,4-DibromobutyricAcid ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CBr)C(C(=O)O)Br

Technology Process of 2,4-Dibromobutanoic acid

There total 9 articles about 2,4-Dibromobutanoic acid 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: 96.0%

4-butanolide (96-48-0) + phosphorus tribromide (7789-60-8) → 2,4-dibromo-butyric acid (63164-16-9)

Guidance literature:

With bromine;

Reference yield:

4-butanolide (96-48-0) → 2,4-dibromo-butyric acid (63164-16-9)

Guidance literature:

With bromine; phosphorus tribromide; at 120 ℃;

DOI:10.1021/ja01624a056

Reference yield:

→ 2,4-dibromo-butyric acid (63164-16-9)

Guidance literature:

With hydrogen bromide;

upstream raw materials:

4-butanolide

2,4-dibromo-butyryl bromide

Cyclopropanecarboxaldehyde

cyclopropanecarboxylic acid

Downstream raw materials:

ethyl 2,4-dibromobutyrate

2,4-dibromobutyric acid tert-butyl ester

α-bromo-γ-butyrolactone

α-Benzylamino-γ-hydroxy-N-benzyl-butyramid

Refernces

• 1、 -. "Peptide deformylase inhibitors". Page/Page column. . Retrieved 2014/12/09.
• 2、 Okawara, Tadashi,Matsuda, Takashi,Furukawa, Mitsuru. "Convenient Syntheses of Cyclic Carboxamides from α,β,γ,δ and ε-halocarboxamides under Phase Transfer Conditions". . p. 1225 - 1233. Retrieved 2007/10/02.