| Identification | More | [Name]
2-(4-Bromomethyl)phenylpropionic acid | [CAS]
111128-12-2 | [Synonyms]
2-[4-(BROMOMETHYL)PHENYL]PROPANOIC ACID
2-[4-(BROMOMETHYL)PHENYL]PROPIONIC ACID
2-[(P-BROMOMETHYL)PHENYL]PROPIONIC ACID
4-(BROMOMETHYL)HYDRATROPIC ACID
BMPPA
2-[4-(Bromomethyl)phenyl]propinic acid
Loxoprofen Intermediate
2-((4-Bromomethyl)phenyl)propanic acid
2-(4-bromomethylphenyl)propionic acid (intermediate of loxoprofen)
2-[4-(bromomethyl)phenyl]propanoic acid (intermediate of loxoprofen)
2-(4-BROMOMETHYL)PHENYLPROPIONIC ACID 97% | [EINECS(EC#)]
627-148-4 | [Molecular Formula]
C10H11BrO2 | [MDL Number]
MFCD02093445 | [Molecular Weight]
243.1 | [MOL File]
111128-12-2.mol |
| Chemical Properties | Back Directory | [Appearance]
beige-cream crystalline powder | [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 Data | Back Directory | [Hazard Codes ]
C,Xi | [Risk Statements ]
R34:Causes burns.
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S27:Take off immediately all contaminated clothing .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S37/39:Wear suitable gloves and eye/face protection . | [RIDADR ]
UN 1759 8/PG 2
| [WGK Germany ]
3
| [HazardClass ]
8 | [PackingGroup ]
Ⅱ | [HS Code ]
29163990 |
| Hazard Information | Back Directory | [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. |
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