2,3-Dibromo-2-(4-bromophenyl)propionic acid

Base Information

• Chemical Name: 2,3-Dibromo-2-(4-bromophenyl)propionic acid
• CAS No.: 112595-55-8
• Molecular Formula: C9H7Br3O2
• Molecular Weight: 386.865
• DSSTox Substance ID: DTXSID60454848
• Mol file: 112595-55-8.mol

Synonyms:2,3-DIBROMO-2-(4-BROMOPHENYL)PROPIONIC ACID;112595-55-8;2,3-dibromo-3-(4-bromophenyl)propanoic Acid;DTXSID60454848;AKOS030255965;FT-0666483

Chemical Property of 2,3-Dibromo-2-(4-bromophenyl)propionic acid

Chemical Property:

• Melting Point: 193-195°C
• Boiling Point: 386.1±42.0 °C(Predicted)
• PKA: 2.16±0.13(Predicted)
• PSA: 37.30000
• Density: 2.184±0.06 g/cm3(Predicted)
• LogP: 3.73320
• Solubility.: DMSO
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 385.79757
• Heavy Atom Count: 14
• Complexity: 202

Purity/Quality:

97% ^*data from raw suppliers

2,3-Dibromo-2-(4-bromophenyl)propionicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(C(C(=O)O)Br)Br)Br
• Uses: 2,3-Dibromo-2-(4-bromophenyl)propionic Acid (cas# 112595-55-8) is a compound useful in organic synthesis.

Technology Process of 2,3-Dibromo-2-(4-bromophenyl)propionic acid

There total 3 articles about 2,3-Dibromo-2-(4-bromophenyl)propionic 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: 89.0%

trans-4-bromocinnamic acid (1200-07-3,5676-63-1,17916-60-8) → 2,3-Dibromo-3-(4-bromophenyl)propionic acid (112595-55-8)

Guidance literature:

With bromine; In chloroform; Heating;

Reference yield: 77.0%

trans-4-bromocinnamic acid (1200-07-3,5676-63-1,17916-60-8) → (2RS,3SR)-2,3-dibromo-3-(4-bromophenyl)propanoic acid (112595-55-8)

Guidance literature:

With copper(II) nitrate trihydrate; trimethylsilyl bromide; In acetonitrile; at 50 ℃; for 2h;

DOI:10.1016/j.tetlet.2017.06.017

Reference yield:

4-bromo-benzaldehyde (1122-91-4) → 2,3-Dibromo-3-(4-bromophenyl)propionic acid (112595-55-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 85 percent / pyridine / Heating

2: 89 percent / Br₂ / CHCl₃ / Heating

With pyridine; bromine; In chloroform;

upstream raw materials:

trans-4-bromocinnamic acid

4-bromo-benzaldehyde

Downstream raw materials:

3-(4-bromophenyl)-2-propynoic acid

trans-4-bromocinnamic acid

(E)-2-bromo-3-(4-bromophenyl)propenoic acid

(Z)-1-[2-bromovinyl]-4-bromobenzene

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