4-(bromomethyl)phenylacetic acid
4-(bromomethyl)phenylacetic acid
CAS: 13737-36-5
Molecular Formula: C9H9BrO2
4-(bromomethyl)phenylacetic acid - Names and Identifiers
| Name | 4-(bromomethyl)phenylacetic acid |
| Synonyms | PAM ACID BR-PAM-LINKER 4-(Bromomethyl) 4-Bromomethylphenylacetic acid 4-(CARBOXYMETHYL)BENZYL BROMIDE 4-(BROMOMETHYL)PHENYLACETIC ACID P-(BROMOMETHYL)PHENYLACETIC ACID 4-(bromomethyl)phenylacetic acid 4'-(Bromo-methyl)phenylacetic acid |
| CAS | 13737-36-5 |
| InChI | InChI=1/C9H9BrO2/c10-6-8-3-1-7(2-4-8)5-9(11)12/h1-4H,5-6H2,(H,11,12) |
| InChIKey | WCOCCXZFEJGHTC-UHFFFAOYSA-N |
4-(bromomethyl)phenylacetic acid - Physico-chemical Properties
| Molecular Formula | C9H9BrO2 |
| Molar Mass | 229.07 |
| Density | 1.565±0.06 g/cm3(Predicted) |
| Melting Point | 179-183°C(lit.) |
| Boling Point | 343.1±22.0 °C(Predicted) |
| Flash Point | 161.3°C |
| Vapor Presure | 2.76E-05mmHg at 25°C |
| Appearance | White to light brown crystalline powder |
| Color | White to light beige |
| BRN | 2360711 |
| pKa | 4.24±0.10(Predicted) |
| Storage Condition | Inert atmosphere,2-8°C |
| Refractive Index | 1.599 |
| MDL | MFCD00010632 |
4-(bromomethyl)phenylacetic acid - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R42 - May cause sensitization by inhalation |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. |
| UN IDs | UN3261 |
| WGK Germany | 3 |
| HS Code | 29163990 |
| Hazard Note | Irritant |
| Hazard Class | 8 |
| Packing Group | III |
4-(bromomethyl)phenylacetic acid - Reference Information
| overview | 4-bromomethylphenylacetic acid is a common organic synthesis intermediate, widely used in the synthesis of pesticides and pharmaceutical intermediates. |
| preparation method | preparation of 4-bromomethylphenylacetic acid: 50g compound 1 (4-methylphenylacetic acid) is dissolved into 200 ml of carbon tetrachloride, heated to reflux, NBS(N-bromosuccinimide)(62g,0.35mol) is added in batches under heating, and the reflux state is maintained for 3 hours after adding, A large number of solids were precipitated out. TLC showed that the raw materials reacted completely. The reaction solution was cooled to room temperature, poured into 500 ml of ice water under stirring, continued stirring for 20 minutes, filtered, and the filter cake was washed with water for 3 times (300 ml each time) to obtain white solid. The white solid was dried at 50 ℃ for 10 hours to obtain 51g compound 2 (4-bromomethylphenylacetic acid). |
| use | precursor of serine protease inhibitor. 1 for the synthesis of novel crown ether receptors. |
Last Update：2024-04-09 21:11:58
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