2-(4-Bromo-3-methylphenyl)acetic acid

Base Information

• Chemical Name: 2-(4-Bromo-3-methylphenyl)acetic acid
• CAS No.: 215949-57-8
• Molecular Formula: C9H9BrO2
• Molecular Weight: 229.07
• Hs Code.: 2916399090
• European Community (EC) Number: 873-172-5
• DSSTox Substance ID: DTXSID60394210
• Wikidata: Q72446661
• Mol file: 215949-57-8.mol

Synonyms:2-(4-bromo-3-methylphenyl)acetic acid;215949-57-8;4-BROMO-3-METHYLPHENYLACETIC ACID;(4-Bromo-3-methylphenyl)acetic acid;4-Bromo-3-methylbenzeneacetic acid;MFCD02664811;19-Hydroxysubstances;2-(4-bromo-3-methyl-phenyl)acetic Acid;SCHEMBL4944685;DTXSID60394210;LHFFNLRLDVODNC-UHFFFAOYSA-N;CL8787;AKOS002392944;CS-W006038;SY110282;TS-03252;FT-0715334;EN300-216383;A879005;Z1269233833

Chemical Property of 2-(4-Bromo-3-methylphenyl)acetic acid

Chemical Property:

• Melting Point: 81℃
• Boiling Point: 338℃
• PKA: 4.17±0.10(Predicted)
• Flash Point: 158℃
• PSA: 37.30000
• Density: 1.533
• LogP: 2.38460
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 227.97859
• Heavy Atom Count: 12
• Complexity: 170

Purity/Quality:

99% ^*data from raw suppliers

(4-bromo-3-methylphenyl)aceticacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)CC(=O)O)Br

Technology Process of 2-(4-Bromo-3-methylphenyl)acetic acid

There total 3 articles about 2-(4-Bromo-3-methylphenyl)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:

tert-butyl 2-(4-bromo-3-methylphenyl)acetate (1243245-66-0) → 2-(4-bromo-3-methyl-phenyl)acetic acid (215949-57-8)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃;

Reference yield:

m-methylphenylacetic acid (621-36-3) → 2-bromo-3-methylphenyl acetic acid (248920-11-8) + 2-(4-bromo-3-methyl-phenyl)acetic acid (215949-57-8) + 2-bromo-5-methylphenylacetic acid (203314-29-8)

Guidance literature:

With bromine; potassium carbonate; In water;

DOI:10.1021/jo300277y

Reference yield:

(4-bromo-3-methyl-phenyl)-acetic acid amide (792917-14-7) → 2-(4-bromo-3-methyl-phenyl)acetic acid (215949-57-8)

Guidance literature:

durch Verseifen;

upstream raw materials:

(4-bromo-3-methyl-phenyl)-acetic acid amide

tert-butyl 2-(4-bromo-3-methylphenyl)acetate

m-methylphenylacetic acid

Downstream raw materials:

C₁₉H₂₂BrN

C₁₉H₂₂BrN

C₁₉H₂₂BrN

C₁₉H₂₂BrN

Refernces

• 1、 -. "N- (HETERO)ARYL, 2- (HETERO)ARYL-SUBSTITUTED ACETAMIDES FOR USE AS WNT SIGNALING MODULATORS". Page/Page column 43. . Retrieved 2010/09/18.