2-[4-(Bromomethyl)phenyl]propanoic acid

Base Information

• Chemical Name: 2-[4-(Bromomethyl)phenyl]propanoic acid
• CAS No.: 111128-12-2
• Molecular Formula: C10H11BrO2
• Molecular Weight: 243.1
• Hs Code.: 29163990
• European Community (EC) Number: 627-148-4
• DSSTox Substance ID: DTXSID10370064
• Nikkaji Number: J2.638.939I
• Mol file: 111128-12-2.mol

Synonyms:111128-12-2;2-[4-(Bromomethyl)phenyl]propanoic acid;2-(4-(Bromomethyl)phenyl)propanoic acid;2-(4-Bromomethyl)phenylpropionic acid;2-[4-(Bromomethyl)phenyl]propionic Acid;2-(4-Bromomethyl-phenyl)-propionic acid;BMPPA;4-(Bromomethyl)hydratropic Acid;Loxoprofen intermediate;SCHEMBL346789;DTXSID10370064;4-(1-Carboxyethyl)benzyl bromide;QQXBRVQJMKBAOZ-UHFFFAOYSA-N;BCP12222;BBL103414;MFCD02093445;STL557224;2-(4-bromomethylphenyl)propionic acid;AKOS015889848;(R)-2-BENZYL-5-PENTENOICACID;CS-W012755;GS-3022;2-[4-(Bromomethyl)phenyl]propinic acid;2-(4-bromomethylphenyl)-proprionic acid;AC-30317;2-[(4-Bromomethyl)phenyl)]propionic Acid;B2101;FT-0642719;2-[4-(Bromomethyl)phenyl]propionic acid, 96%;EN300-157261;A802297;Q-100065

Chemical Property of 2-[4-(Bromomethyl)phenyl]propanoic acid

Chemical Property:

• Appearance/Colour: Beige-cream crystalline powder
• Vapor Pressure: 2.54E-05mmHg at 25°C
• Melting Point: 126-130 °C(lit.)
• Refractive Index: 1.5220 (estimate)
• Boiling Point: 344.2 °C at 760 mmHg
• PKA: 4.29±0.10(Predicted)
• Flash Point: 162 °C
• PSA: 37.30000
• Density: 1.485 g/cm³
• LogP: 2.76960
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 241.99424
• Heavy Atom Count: 13
• Complexity: 174

Purity/Quality:

99% ^*data from raw suppliers

2-[4-(Bromomethyl)phenyl]propionic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,C
• Hazard Codes: C,Xi
• Statements: 34-36/37/38
• Safety Statements: 26-27-36/37/39-45-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC=C(C=C1)CBr)C(=O)O

Technology Process of 2-[4-(Bromomethyl)phenyl]propanoic acid

There total 22 articles about 2-[4-(Bromomethyl)phenyl]propanoic 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: 99.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + hydratropic acid (492-37-5,2328-24-7) → 2-[4-(bromomethyl)phenyl]propanoic acid (111128-12-2)

Guidance literature:

With sulfuric acid; hydrogen bromide; at 35 - 70 ℃; for 11h; Temperature;

Reference yield: 97.25%

2-(4-(hydroxymethyl)phenyl)propanoic acid → 2-[4-(bromomethyl)phenyl]propanoic acid (111128-12-2)

Guidance literature:

2-(4-(hydroxymethyl)phenyl)propanoic acid; With hydrogen bromide; tin(II) bromide; at 35 ℃;

With sulfuric acid; at 60 ℃; Temperature; Reagent/catalyst;

Reference yield: 85.3%

C10H10Br2O2 → 2-[4-(bromomethyl)phenyl]propanoic acid (111128-12-2)

Guidance literature:

With tetra-(n-butyl)ammonium iodide; phosphonic acid diethyl ester; In water; toluene; at 5 - 85 ℃; for 6h; Reagent/catalyst; Inert atmosphere;

upstream raw materials:

trioxane

hydratropic acid

cetyltrimethylammonim bromide

formaldehyd

Downstream raw materials:

2-(4-bromomethylphenyl)propionic acid methyl ester

tert-butyl 2-(4-(bromomethyl)phenyl)propanoate

Refernces

• 1、 -. "Method for synthesizing P-bromomethyl isobenzopropionic acid". Paragraph 0026; 0033-0035; 0036; 0043-0045. . Retrieved 2021/10/27.
• 2、 -. "Production method of 2-(4-bromomethyl phenyl)propionic acid". Paragraph 0017; 0022; 0028; 0029. . Retrieved 2020/03/06.