2-N-PROPOXYBENZOIC ACID
2-n-Propoxybenzoic acid
CAS: 2100-31-4
Molecular Formula: C10H12O3
2-N-PROPOXYBENZOIC ACID - Names and Identifiers
| Name | 2-n-Propoxybenzoic acid |
| Synonyms | 2-propoxybenzoate RARECHEM AL BO 0876 2-Propoxybenzoic aci o-Propoxybenzoic acid 2-PROPOXYBENZOIC ACID 2-propoxybenzoic acid 2-Propoxybenzoic acid O-PROPOXY BENZOIC ACID 2-N-PROPOXYBENZOIC ACID 2-n-Propoxybenzoic acid Salicylic Acid Propyl Ether |
| CAS | 2100-31-4 |
| EINECS | 606-685-8 |
| InChI | InChI=1/C10H12O3/c1-2-7-13-9-6-4-3-5-8(9)10(11)12/h3-6H,2,7H2,1H3,(H,11,12)/p-1 |
2-N-PROPOXYBENZOIC ACID - Physico-chemical Properties
| Molecular Formula | C10H12O3 |
| Molar Mass | 180.2 |
| Density | 1.133±0.06 g/cm3(Predicted) |
| Melting Point | 35-37°C |
| Boling Point | 207 °C / 40mmHg |
| Flash Point | 120°C |
| Solubility | DMSO, Methanol |
| Vapor Presure | 0.00034mmHg at 25°C |
| Appearance | White crystal |
| Color | Off-White |
| BRN | 3089998 |
| pKa | pK1:4.24 (20°C) |
| Storage Condition | 2-8°C |
| MDL | MFCD01075687 |
| Physical and Chemical Properties | White crystal, soluble in alcohol and ether, insoluble in water. Melting point 40°C, boiling point 205-207°C/5320 Pa. |
2-N-PROPOXYBENZOIC ACID - Risk and Safety
| Hazard Symbols | Xn - Harmful |
| Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R22 - Harmful if swallowed |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S37 - Wear suitable gloves. |
| RTECS | 000-000-0 |
| HS Code | 29189900 |
2-N-PROPOXYBENZOIC ACID - Reference Information
| use | o-propoxybenzoic acid is a salicylic acid derivative, an important pharmaceutical raw material, with anti-inflammatory and analgesic effects, and can also be used to synthesize sildenafen and arginine antidiuretic hormone receptor V and V antagonists. It can also be used to prepare tyrosinase or hyaluronidase inhibitors. O-propoxybenzoic acid is a very effective drug to inhibit collagen-induced aggregation of human platelets. Sildenafil (SDF) is the first oral drug used clinically to treat erectile dysfunction in men. There have been many reports on the synthesis process of SDF at home and abroad. O-propioxybenzoic acid is the key starting material for its synthesis. Used in pharmaceutical intermediates, organic synthesis. |
| preparation | there are two main methods for the synthesis of o-propoxybenzoic acid reported at present:(1) methyl salicylate is used as raw material, bromopropane and potassium carbonate. Synthesis of o-propoxybenzoic acid by reflux in acetone;(2) Synthesis of o-propoxybenzoic acid with salicylic acid as raw material, 18-crown -6 or benzyl triethylammonium chloride (TEBAC) as catalyst under alkaline conditions. The yield of these two synthesis methods is low. In this paper, under the action of sodium ethoxide, in ethanol solution, methyl salicylate and bromopropane reaction, by alkaline hydrolysis, acidification, can obtain high yield, high purity of o-propoxybenzoic acid. The preparation reaction formula is shown in the following figure: Figure 1 Preparation of o-propioxybenzoic acid The main reagent of the reaction formula is methyl salicylate, 20% sodium ethoxide ethanol solution, sodium hydroxide, sulfuric acid. In the synthesis step, 152g of methyl salicylate (1mol) was placed in a 1000ml three-mouth round bottom flask, and 510mL of sodium ethoxide ethanol solution with a content of 20% was added dropwise under cooling and mechanical stirring. After adding 218g of bromopropane (2mol) at one time and reacting at 40 ℃ for 8 hours, excess bromopropane and ethanol were evaporated. Add 600mL5 sodium hydroxide solution, raise the temperature to 95 ℃, react for 4 hours, adjust the pH to 3.5-4 with 10% sulfuric acid solution, separate the organic layer, wash with 300mL × 2 water, and distill under reduced pressure to obtain 153g o-propoxybenzoic acid with a yield of 92%. |
| chemical properties | white crystal, soluble in alcohol and ether, insoluble in water. Melting point 40°C, boiling point 205-207°C/5320 Pa. |
Last Update：2024-04-09 15:16:37
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