RARECHEM AL BO 0137
p-Tolylacetic acid
CAS: 622-47-9
Molecular Formula: C9H10O2
RARECHEM AL BO 0137 - Names and Identifiers
| Name | p-Tolylacetic acid |
| Synonyms | ASISCHEM D13361 P-tolyacetic acid P-TOLYLACETIC ACID 4-TOLYLACETIC ACID p-Tolylacetic acid RARECHEM AL BO 0137 (4-methylphenyl)acetate 4-Methylphylacetic Acid p-Methylphenylacetic acid 4-METHYLPHENYLACETIC ACID 4-Methylphenylacetic acid P-METHYLPHENYL ACETIC ACID para methylphenylacetic acid The Methyl benzene acetic acid 4-(Carboxymethyl)toluene, p-Tolylacetic acid |
| CAS | 622-47-9 |
| EINECS | 210-738-7 |
| InChI | InChI=1/C9H10O2/c1-7-2-4-8(5-3-7)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)/p-1 |
| InChIKey | GXXXUZIRGXYDFP-UHFFFAOYSA-N |
RARECHEM AL BO 0137 - Physico-chemical Properties
| Molecular Formula | C9H10O2 |
| Molar Mass | 150.17 |
| Density | 1.0858 (rough estimate) |
| Melting Point | 88-92 °C (lit.) |
| Boling Point | 265-267 °C (lit.) |
| Flash Point | 265-267°C |
| Solubility | soluble in Methanol |
| Vapor Presure | 0.00442mmHg at 25°C |
| Appearance | White fine crystal |
| Color | White |
| BRN | 2043528 |
| pKa | pK1:4.370 (25°C) |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.5002 (estimate) |
| MDL | MFCD00004353 |
| Physical and Chemical Properties | Melting point 90-93°C boiling point 265-267°C |
| Use | For organic synthesis, pharmaceutical industry |
RARECHEM AL BO 0137 - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S24/25 - Avoid contact with skin and eyes. |
| WGK Germany | 3 |
| RTECS | AJ7569000 |
| HS Code | 29163900 |
| Hazard Class | IRRITANT |
RARECHEM AL BO 0137 - Reference Information
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| Application | p-methylphenylacetic acid is a kind of phenylacetic acid compounds, phenylacetic acid compounds are important fine chemical intermediates, widely used in medicine, pesticides, spices, dyes and other fields. In the aspect of fine chemicals, acids with different substituents are important substrates for chemical experiments, that is, important intermediates for the synthesis of esters and amides, and also important substrates for the reduction to alcohols and aldehydes, which play a vital role. |
| preparation | n-butyl lithium (2.4mL,2.5mol/L,1.2 eq.) add Dropwise to a solution of 4-methylphenylacetylene (580.8mg,1.0 equiv) in tetrahydrofuran (15mL) for 1H, followed by isopropanol-cytanol borate (1.2mL,1.2 equiv) add Dropwise to the mixed solution, continue the reaction for 2H, add 1, 4-dioxane solution of hydrogen chloride (1.9mL,4m indioxane,1.5 eq) to quench, and the reaction is warmed to room temperature, after rotary evaporation of the solvent, the solvent was prepared into acetone solution (0.3M), then potassium peroxymonosulfonate solution (0.5M,4.6107g,1.5 eq) was added, and the mixture was transferred to 50 ° C. And stirred for 12h, separation and Purification of p-methylphenylacetic Acid Purity was 74% 555.7mg. The data of hydrogen spectrum and carbon spectrum are as follows: 1H NMR(400MHz,CDCl3) = 10.75(br s,1H),7.19(q,J = 8.2Hz,4H),3.64(s,2H),2.37(s,3H);13C NMR(101MHz,CDCl3) * 178.52,137.11,130.32,129.45,129.35,40.78,21.19. |
| Use | for organic synthesis, pharmaceutical industry |
Last Update：2024-04-09 21:01:54
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