2-(2,5-dibromophenyl)acetic Acid

Base Information

• Chemical Name: 2-(2,5-dibromophenyl)acetic Acid
• CAS No.: 203314-28-7
• Molecular Formula: C8H6Br2O2
• Molecular Weight: 293.942
• Hs Code.: 2916399090
• European Community (EC) Number: 804-900-1
• DSSTox Substance ID: DTXSID30401364
• Wikidata: Q82204448
• Mol file: 203314-28-7.mol

Synonyms:203314-28-7;2-(2,5-dibromophenyl)acetic Acid;2,5-Dibromophenylacetic acid;(2,5-Dibromophenyl)acetic acid;Benzeneacetic acid, 2,5-dibromo-;MFCD02664691;2,5-Dibromophenylaceticacid;SCHEMBL1758414;DTXSID30401364;NKZKFWYEXDBOTP-UHFFFAOYSA-N;(2,5-Dibromo-phenyl)-acetic acid;BCP11411;CS-M3358;CL8749;AKOS002392990;AM62278;SB13066;AC-28949;AS-18196;SY047633;BB 0248979;EN300-120073;A856752;AS-813/43501598;Z1269185355

Chemical Property of 2-(2,5-dibromophenyl)acetic Acid

Chemical Property:

• Boiling Point: 376.4±27.0 °C(Predicted)
• PKA: 3.87±0.10(Predicted)
• PSA: 37.30000
• Density: 1.969±0.06 g/cm3(Predicted)
• LogP: 2.83870
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 293.87141
• Heavy Atom Count: 12
• Complexity: 172

Purity/Quality:

99.9% ^*data from raw suppliers

2-(2,5-Dibromophenyl)aceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Br)CC(=O)O)Br
• Uses: 2-(2,5-Dibromophenyl)acetic Acid is used as a reactant in the synthesis of MK-8742, a HCV NS5a inhibitor.

Technology Process of 2-(2,5-dibromophenyl)acetic Acid

There total 11 articles about 2-(2,5-dibromophenyl)acetic 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: 94.0%

1-(2,5-dibromophenyl)ethanone (32937-55-6) + acetic acid (64-19-7,77671-22-8) → 2-(2,5-dibromophenyl)-acetic acid (203314-28-7)

Guidance literature:

1-(2,5-dibromophenyl)ethanone; With morpholine; sulfur; at 100 ℃; for 20h;

acetic acid; With hydrogenchloride; water; at 100 ℃; Concentration;

DOI:10.1134/S107036322105025X

Reference yield: 83.0%

2-(2,5-dibromophenyl)acetonitrile (74533-21-4) → 2-(2,5-dibromophenyl)-acetic acid (203314-28-7)

Guidance literature:

With sodium hydroxide; In water; at 100 ℃; Reagent/catalyst;

Reference yield: 80.5%

5-bromo-2-indolin-2-one (20870-78-4) → 2-(2,5-dibromophenyl)-acetic acid (203314-28-7)

Guidance literature:

5-bromo-2-indolin-2-one; With hydrogen bromide; sodium nitrite; In water; at -5 - 0 ℃; for 0.0025h;

With hydrogen bromide; copper(I) bromide; copper(ll) bromide; In water; at 0.5 - 25 ℃; for 1.5h;

upstream raw materials:

2-(2,5-dibromophenyl)acetonitrile

2,5-dibromobenzoic acid

(2,5-dibromophenyl)methanol

2,5-dibromobenzyl chloride

Downstream raw materials:

2-(2,5-dibromophenyl)-N-methoxyacetamide

cyclohexyl 2-{1-[(2,5-dibromophenyl)acetyl]piperidin-4-yl}-1,3-thiazole-4-carboxylate

Refernces

• 1、 -. "Synthetic method for 2,5-dibromophenylacetic acid". Paragraph 0007; 0008; 0017; 0018. . Retrieved 2018/03/24.
• 2、 -. "A 2, 5 - di bromo acetic acid". Paragraph 0018; 0023-0026; 0028; 0033-0036; 0038; 0043-0046. . Retrieved 2017/08/25.