3,4-Dibromobutanoic acid

Base Information

• Chemical Name: 3,4-Dibromobutanoic acid
• CAS No.: 16507-32-7
• Molecular Formula: C4H6 Br2 O2
• Molecular Weight: 245.898
• Hs Code.: 2915900090
• NSC Number: 106868
• Nikkaji Number: J82.512C
• Mol file: 16507-32-7.mol

Synonyms:3,4-dibromobutanoic acid;3,4-Dibromobutyric acid;16507-32-7;NSC106868;SCHEMBL7513255;NSC-106868

Chemical Property of 3,4-Dibromobutanoic acid

Chemical Property:

• Vapor Pressure: 0.000226mmHg at 25°C
• Boiling Point: 302.7°Cat760mmHg
• Flash Point: 136.9°C
• PSA: 37.30000
• Density: 2.121g/cm³
• LogP: 1.61950
• XLogP3: 1.3
• 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:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(CBr)Br)C(=O)O

Technology Process of 3,4-Dibromobutanoic acid

There total 9 articles about 3,4-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: 93.0%

but-3-enoic acid (625-38-7) → (±)-3,4-dibromobutanoic acid (16507-32-7)

Guidance literature:

With bromine; In dichloromethane; at 0 - 20 ℃;

DOI:10.3390/antibiotics9040160

Reference yield: 32.0%

but-3-enoic acid (625-38-7) → 4‐bromodihydrofuran‐2(3H)‐one (16507-31-6,403483-25-0) + (±)-3,4-dibromobutanoic acid (16507-32-7)

Guidance literature:

With bromine; for 0.166667h; Phase-vanishing reaction with phase screen; Neat (no solvent);

DOI:10.3762/bjoc.5.75

Reference yield:

→ (±)-3,4-dibromobutanoic acid (16507-32-7)

Guidance literature:

With water; hydrogen bromide; at 100 ℃; Einleiten von Bromwasserstoff;

upstream raw materials:

but-3-enoic acid

3,4-dibromobutyronitrile

hydrogen bromide

2-buten-4-olide

Downstream raw materials:

but-3-enoic acid

4-phenoxy-trans-crotonic acid

4-Hydroxy-dihydro-furan-2-on

Refernces

• 1、 Casiraghi, Andrea,De Giuli Morghen, Carlo,Hrast, Martina,Radaelli, Antonia,Sebastián-Pérez, Victor,Straniero, Valentina,Suigo, Lorenzo,Valoti, Ermanno,Zanotto, Carlo,Zdovc, Irena. "Benzamide derivatives targeting the cell division protein ftsz: Modifications of the linker and the benzodioxane scaffold and their effects on antimicrobial activity". . . Retrieved 2020/04/29.
• 2、 Pels, Kevin,Dragojlovic, Veljko. "Solvent-free phase-vanishing reactions with PTFE (Teflon) as a phase screen". scheme or table. . Retrieved 2010/04/22.