2,3-Dibromobutyric acid

Base Information

• Chemical Name: 2,3-Dibromobutyric acid
• CAS No.: 600-30-6
• Molecular Formula: C4H6Br2O2
• Molecular Weight: 245.898
• Hs Code.: 29159000
• European Community (EC) Number: 209-992-1
• NSC Number: 6207
• DSSTox Substance ID: DTXSID80870667
• Nikkaji Number: J79.696D
• Wikidata: Q106892217
• Mol file: 600-30-6.mol

Synonyms:2,3-Dibromobutyric acid;600-30-6;2,3-Dibromobutanoic acid;.alpha.,.beta.-Dibromobutyric acid;EINECS 209-992-1;2,3-dibromo-butyric acid;2,3-Dibromobutanoic acid #;Nitroacetaldehydedimethylacetal;Butanoic acid, 2,3-dibromo-;SCHEMBL3070137;DTXSID80870667;NSC6207;NSC 6207;NSC-6207;MFCD00014334;AKOS004907945;.alpha.,.beta.-Dibromo-n-butyric acid;CS-0454034;FT-0609519;W-105284

Chemical Property of 2,3-Dibromobutyric acid

Chemical Property:

• Appearance/Colour: white fine crystalline powder
• Vapor Pressure: 0.0026mmHg at 25°C
• Melting Point: 86-90 °C
• Refractive Index: 1.5220 (estimate)
• Boiling Point: 265.8 °C at 760 mmHg
• Flash Point: 114.5 °C
• PSA: 37.30000
• Density: 2.114g/cm³
• LogP: 1.61790
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 245.87141
• Heavy Atom Count: 8
• Complexity: 94

Purity/Quality:

99% ^*data from raw suppliers

2,3-DIBROMOBUTYRIC ACID Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 28A-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(C(=O)O)Br)Br
• Uses: 2,3-Dibromobutyric Acid is a useful compound for the preparation of nematocidal alkenanilides.

Technology Process of 2,3-Dibromobutyric acid

There total 34 articles about 2,3-Dibromobutyric 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: 95.0%

(E)-but-2-enoic acid (107-93-7) → 2,3-dibromobutanoic acid (600-30-6)

Guidance literature:

With bromine; In chloroform; Heating;

Reference yield: 88.0%

(E)-but-2-enoic acid (107-93-7) → erythro-2,3-dibromobutanoic acid (600-30-6,26697-68-7,90429-42-8,125810-56-2)

Guidance literature:

With bromine; In n-heptane; for 16h; Ambient temperature;

DOI:10.1021/jo00012a053

Reference yield:

2-butenoic acid (3724-65-0) → 2,3-dibromobutanoic acid (600-30-6)

Guidance literature:

With sulfurous dibromide;

DOI:10.1055/s-1973-22269

upstream raw materials:

2-butenoic acid

(E)-but-2-enoic acid

crotononitrile

bromine

Downstream raw materials:

1-bromo-1-propene

α-bromocrotonic acid

(Z)-1-propenyl bromide

trans-2-propenyl bromide

Refernces

• 1、 Cardillo, Giuliana,Fabbroni, Serena,Gentilucci, Luca,Perciaccante, Rossana,Tolomelli, Alessandra. "α-Bromo-β,γ-unsaturated ketenes for the synthesis of α-benzylamino-β,γ-unsaturated acids". . p. 593 - 601. Retrieved 2007/10/03.
• 2、 Matveeva,Erin,Kurz. "Synthesis of the Substituted Z-1-Bromo-1-alkenes and Arylacetylenes from 2,3-Dibromocarboxylic Acids". . p. 1065 - 1067. Retrieved 2007/10/03.