2-(4-Bromomethyl)phenylpropionic acid Chemical Properties

Melting point:

126-130 °C(lit.)

Boiling point:

148°C (rough estimate)

Density 

1.4557 (rough estimate)

refractive index 

1.5220 (estimate)

storage temp. 

Keep in dark place,Sealed in dry,Room Temperature

solubility 

Chloroform (Slightly), Methanol (Slightly)

form 

powder to crystal

pka

4.29±0.10(Predicted)

color 

White to Light yellow to Light orange

InChI

InChI=1S/C10H11BrO2/c1-7(10(12)13)9-4-2-8(6-11)3-5-9/h2-5,7H,6H2,1H3,(H,12,13)

InChIKey

QQXBRVQJMKBAOZ-UHFFFAOYSA-N

SMILES

C(O)(=O)C(C1=CC=C(CBr)C=C1)C

CAS DataBase Reference

111128-12-2(CAS DataBase Reference)

Safety Information

Hazard Codes 

C,Xi

Risk Statements 

34-36/37/38

Safety Statements 

26-27-36/37/39-45-37/39

RIDADR 

UN 1759 8/PG 2

WGK Germany 

3

HazardClass 

8

PackingGroup 

Ⅱ

HS Code 

29163990

MSDS

• Language:English Provider:ACROS
• Language:English Provider:SigmaAldrich

2-(4-Bromomethyl)phenylpropionic acid Usage And Synthesis

Chemical Properties

beige-cream crystalline powder

Uses

2-[4-(Bromomethyl)phenyl]propionic Acid is a key intermediate for the synthesis of loxoprofen sodium a nonsteroidal anti-inflammatory drug.

General Description

2-[4-(Bromomethyl)phenyl]propionic acid is a propionic acid derivative. Its enthalpy of vaporization at boiling point (421.15K) is 36.363kjoule/mol and density at 25°C is 1.4212g/ml.

Synthesis

The synthesis method comprises the following steps: dissolving sodium hydroxide in excessive methanol to react with p-chloro-tolualdehyde to obtain p-methoxy-tolualdehyde, andthen performing chloromethylation reaction on the p-methoxy tolualdehyde and concentrated hydrochloric acid in the existence of sulfuric acid to obtain p-chloromethyl benzyl ether; performing nucleophilic reaction on the p-chloromethyl benzyl ether and the sodium cyanide to obtain p-methoxy-methyl benzyl cyanide; reacting the p-methoxy-methyl benzyl cyanide with dimethyl carbonate under high pressure in the existence of a catalyst to obtain p-methoxy-methyl benzyl iso-propionitrile; and reacting the p-methoxy-methylbenzyl sodium isopropionate with excessive concentrate sulfuric acid to generate molten salt which is reacted with hydrobromic acid to obtain 2-(4-Bromomethyl)phenylpropionic acid.

2-(4-Bromomethyl)phenylpropionic acid(111128-12-2)Related Product Information

• Ethyl 3-bromopropionate
• 3-Bromopropionic acid
• (S)-(+)-2-Phenylpropionic acid
• Chlorodimethylphenylsilane
• Pimecrolimus
• Entacapone
• Ciprofloxacin hydrochloride
• 2,2-Bis(hydroxymethyl)propionic acid
• 4-Bromomethylbenzoic acid
• Methyl bromide
• Loxoprofen
• 4-(BROMOMETHYL)PHENYLACETIC ACID
• 4-ISOPROPYL BENZYL BROMIDE 97
• 1-(bromomethyl)-4-ethylbenzene
• 2-[p-(1-Bromo-2-methylpropyl)phenyl]propionic Acid
• 2-(4-Bromomethyl)phenylpropionic acid
• p-Bromomethylphenylpropionic acid
• 2-(4-BROMOMETHYL-PHENYL)-2-METHYL-PROPIONIC ACID METHYL ESTER