3-hydroxy-2-phenylpropanoate
DL-Tropic acid
CAS: 529-64-6
Molecular Formula: C9H10O3
3-hydroxy-2-phenylpropanoate - Names and Identifiers
| Name | DL-Tropic acid |
| Synonyms | Tropic acid DL-Tropic acid DL-TROPIC ACID 2-PHENYLHYDRACRYLIC ACID 2-PHENYLHYDROACRYLIC ACID DL-A-PHENYLHYDRACRYLIC ACID ALPHA-PHENYLHYDRACRYLIC ACID 3-hydroxy-2-phenylpropanoate 3-HYDROXY-2-PHENYLPROPIONIC ACID 3-Hydroxy-2-phenylpropionic acid 3-hydroxy-2-phenylpropanoic acid (2S)-3-hydroxy-2-phenylpropanoate (2R)-3-hydroxy-2-phenylpropanoate DL-3-HYDROXY-2-PHENYLPROPIONIC ACID DL-3-Hydroxy-2-phenylpropionic acid (2R)-3-hydroxy-2-phenylpropanoic acid ALPHA-(HYDROXYMETHYL)BENZENEACETIC ACID |
| CAS | 529-64-6 |
| EINECS | 208-465-3 |
| InChI | InChI=1/C9H10O3/c10-6-8(9(11)12)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/p-1/t8-/m0/s1 |
| InChIKey | JACRWUWPXAESPB-UHFFFAOYSA-N |
3-hydroxy-2-phenylpropanoate - Physico-chemical Properties
| Molecular Formula | C9H10O3 |
| Molar Mass | 166.17 |
| Density | 1.1097 (rough estimate) |
| Melting Point | 116-118°C(lit.) |
| Boling Point | 234.38°C (rough estimate) |
| Flash Point | 163.1°C |
| Water Solubility | 20 g/L (20 ºC) |
| Solubility | methanol: 0.1g/mL, clear |
| Vapor Presure | 0.000114mmHg at 25°C |
| Appearance | White crystal |
| Color | White to off-white |
| Merck | 13,9849 |
| pKa | pK1:3.53 (25°C) |
| Storage Condition | Store below +30°C. |
| Refractive Index | 1.4500 (estimate) |
| MDL | MFCD00004255 |
| Physical and Chemical Properties | The melting point of R-form is 107 ° C.,[α]20D 70 °(C = 0.5,H2O); The melting point of S-form is 126-128 ° C. [Α] 20D-70 °(C = 0.5,H2O);(±) type needle-like (water) or plate-like (benzene) crystal, melting point 118 °c. |
3-hydroxy-2-phenylpropanoate - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | R22 - Harmful if swallowed R41 - Risk of serious damage to eyes R37/38 - Irritating to respiratory system and skin. R36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S22 - Do not breathe dust. S24/25 - Avoid contact with skin and eyes. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S36 - Wear suitable protective clothing. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. |
| WGK Germany | 3 |
| HS Code | 29181980 |
| Hazard Note | Irritant |
3-hydroxy-2-phenylpropanoate - Reference
| Reference Show more | 1. Wang Xiong-fei, Sun Yi-kun, Duan Xiao-jie, et al. Study on impurities of racanisodamine [C]// Chinese Association of Traditional Chinese Medicine. Chinese society of traditional Chinese medicine, 2017. |
3-hydroxy-2-phenylpropanoate - Introduction
Soluble in alcohol and ether, actually insoluble in petroleum ether.
Last Update：2022-10-16 17:25:56
3-hydroxy-2-phenylpropanoate - Reference Information
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: iaspub.epa.gov (external link) |
| use | anisodamine hydrobromide intermediate. |
| Production method | Hydrolyze with phenylacetonitrile, and esterify with methanol under the catalysis of sulfuric acid to generate methyl phenylacetate, and then use ethyl formate with the participation of sodium methoxide Acylation to obtain α-formylphenylacetate methyl ester, which is reduced with potassium borohydride to obtain α-hydroxymethylphenylacetate methyl ester, and then alkaline hydrolysis and acidification to obtain the product. It can also be prepared by biosynthetic methods. |
Last Update：2024-04-09 18:58:34
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