LABOTEST-BB LT00451798
1-Phenyl-1-cyclopropanecarboxylic acid
CAS: 6120-95-2
Molecular Formula: C10H10O2
LABOTEST-BB LT00451798 - Names and Identifiers
| Name | 1-Phenyl-1-cyclopropanecarboxylic acid |
| Synonyms | AKOS BB-9362 RARECHEM AL BO 1075 LABOTEST-BB LT00451798 1-phenylcyclopropanecarboxylate 1-Phenylcyclopropanecarboxylic acid 1-phenylcyclopropanecarboxylic acid 1-PHENYL-1-CYCLOPROPANECARBOXYLIC ACID Cyclopropanecarboxylic acid, 1-phenyl- 1-Phenyl-1-cyclopropanecarboxylic acid |
| CAS | 6120-95-2 |
| EINECS | 228-090-9 |
| InChI | InChI=1/C10H10O2/c11-9(12)10(6-7-10)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)/p-1 |
| InChIKey | IWWCCNVRNHTGLV-UHFFFAOYSA-N |
LABOTEST-BB LT00451798 - Physico-chemical Properties
| Molecular Formula | C10H10O2 |
| Molar Mass | 162.19 |
| Density | 1.0613 (rough estimate) |
| Melting Point | 85-87 °C (lit.) |
| Boling Point | 248.88°C (rough estimate) |
| Flash Point | 141.2°C |
| Solubility | soluble in Methanol |
| Vapor Presure | 0.000277mmHg at 25°C |
| Appearance | Crystals, Crystalline Powder or Chunks |
| Color | White to beige |
| pKa | 4.30±0.20(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.5782 (estimate) |
| MDL | MFCD00001288 |
| Use | It was used in the preparation of bis[(1-phenyl-1-cyclopropyl)carbonyl] peroxide via reaction with hydrogen peroxide in the presence of N,N′-dicyclohexylcarbodiimide. |
LABOTEST-BB LT00451798 - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Safety Description | 24/25 - Avoid contact with skin and eyes. |
| WGK Germany | 3 |
| HS Code | 29163990 |
| Hazard Class | IRRITANT |
LABOTEST-BB LT00451798 - Reference Information
| Introduction | , pesticides and petrochemical industry, can be used as intermediates and other compounds, to synthesize many of the fuel, liquid crystal materials, pharmaceutical and other compounds have an important role. For example, the acidic substances synthesized with phenylpropanoic acid as the parent substance can effectively promote the spontaneous dissolution of blood fiber protease, and quickly inhibit serum poisoning; P-methoxyphenylalanine and its sodium salt, potassium salt, acetanilide and ammonium salts are a class of highly effective agricultural insecticides. Therefore, the synthesis of phenylpropanoic acid compounds has attracted much attention.|
| Application | 1-phenyl-1-cyclopropanecarboxylic acid is a derivative of phenylalanine. Phenylpropanoic acid and its derivatives are commonly found in the pharmaceutical, pesticide and petrochemical industries, and the carboxyl group of phenylpropanoic acid itself is an active group, can be used as an intermediate and other compounds reaction, so as to synthesize many in the fuel, liquid crystal materials, pharmaceutical and other aspects have an important role in the compound. |
| preparation | to the substituted phenylacetonitrile was added benzyltriethylammonium chloride (0.025 equivalents) and the appropriate dihalogenated compound (2.5 equivalents). The mixture was heated at 70 °c and then 50% sodium hydroxide (10 eq.) was slowly added to the mixture. The reaction was stirred at 70 °c for 12-24 hours to ensure complete formation of the cycloalkyl moiety and then heated at 130 °c for 24-48 hours to ensure complete conversion of the nitrile to the carboxylic acid. The dark brown/black reaction mixture was diluted with water and extracted three times each with ethyl acetate and then with dichloromethane to remove by-products. The aqueous alkaline solution was acidified with concentrated hydrochloric acid to a pH of less than one, and the precipitate starting at pH 4 was filtered and washed twice with 1M hydrochloric acid. The solid product was dissolved in dichloromethane and extracted twice with 1M hydrochloric acid and once with saturated aqueous sodium chloride solution. The organic solution was dried over sodium sulfate and evaporated to dryness to give the cycloalkyl carboxylic acid. |
Last Update：2024-04-10 22:29:15
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