苯甲醇杂质6
Cyclohexylmethanol
CAS: 100-49-2
Molecular Formula: C7H14O
苯甲醇杂质6 - Names and Identifiers
| Name | Cyclohexylmethanol |
| Synonyms | usafdo-49 USAF do-49 Hexyl Methanol cyclohexyl-methano Cyclohexylmethanol Cyclohexylcarbinol Cyclohexanemethanol RARECHEM AL BD 0002 1-Cyclohexylmethanol Methanol, cyclohexyl- hexahydro-benzylalcoho Cyclohexylmethyl alcohol Benzyl Alcohol Impurity 6 (hydroxymethyl)cyclohexane Cyclohexanemethanol~(Hydroxymethyl)cyclohexane |
| CAS | 100-49-2 |
| EINECS | 202-857-8 |
| InChI | InChI=1/C7H14O/c8-6-7-4-2-1-3-5-7/h7-8H,1-6H2 |
| InChIKey | VSSAZBXXNIABDN-UHFFFAOYSA-N |
苯甲醇杂质6 - Physico-chemical Properties
| Molecular Formula | C7H14O |
| Molar Mass | 114.19 |
| Density | 0.928 g/mL at 25 °C (lit.) |
| Melting Point | -43°C |
| Boling Point | 181 °C (lit.) |
| Flash Point | 160°F |
| Solubility | Soluble in Ether, Alcohols. |
| Vapor Presure | 0.254mmHg at 25°C |
| Appearance | Oil |
| Color | Colourless |
| Merck | 14,2731 |
| BRN | 773712 |
| pKa | 15.17±0.10(Predicted) |
| Storage Condition | Store below +30°C. |
| Refractive Index | n20/D 1.465(lit.) |
| Physical and Chemical Properties | Colorless liquid. Boiling point of 182 degrees C, 91 degrees C (2.4kPa), relative density (20/4 degrees C) 0.928, refractive index (nD20)1.4649. Soluble in alcohol and ether. |
| Use | Used as a pharmaceutical Intermediate |
苯甲醇杂质6 - Risk and Safety
| Safety Description | S23 - Do not breathe vapour. S24/25 - Avoid contact with skin and eyes. |
| WGK Germany | 1 |
| RTECS | GV5075000 |
| TSCA | Yes |
| HS Code | 29061900 |
苯甲醇杂质6 - Reference Information
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| application field | cyclohexanmethanol is a colorless or yellow liquid with alcohol chemical properties, which can be oxidized, esterified, etherification, halogenation reaction, etc. The esterification reaction with 4-methylthio-2-oxobutyric acid produces cyclohexyl methyl 4-methylthio-2-oxobutyric acid, which can be used to treat liver, kidney, pancreas and brain diseases; and 4-Hydroxybenzoic acid esterification reaction to produce 4-Hydroxybenzoic acid cyclohexyl methyl ester, and tetrahydropyrrole, formaldehyde aqueous solution can be aminomethylation reaction to produce hydroxyl bis (pyrrolidinyl methyl) cyclohexyl methyl benzoate, the compound can be prepared into antiarrhythmic drugs; The use of cyclohexyl methanol can be synthesized hydroxy ethoxymethyl cyclohexyl octane, the material is a biodegradable detergent, can be used to treat sewage; Cyclohexanmethanol can also be glycosylated reaction, preparation as an immune blood cell protein inhibitor. |
| preparation | the preparation method of the reducing agent comprises the following steps: 45g of anhydrous zinc chloride is put into a 500ml three-mouth reaction bottle, burn off water in an oil bath at 200-220 ℃ for 2 hours, cool to room temperature naturally, add 0.5 ml of anhydrous Tetrahydrofuran, stir for -1 hour and dissolve, cool to below 10 ℃, 28g of potassium borohydride was added three times, and the mixture was stirred at room temperature of 20 to 30 ° C. For 3 to 4 hours. reduction reaction: cool the reduction solution prepared in the previous step to below 10 ℃, add 25g of cyclohexanoic acid and 100ml of anhydrous tetrahydrofuran solution Dropwise, stir at room temperature to reduce for 4 hours, then distill 200ml of tetrahydrofuran, cool to room temperature, add 400ml of anhydrous toluene, distill off tetrahydrofuran and a small amount of toluene, when the liquid temperature in the reaction bottle reaches 91~94 ℃, the distillation can be stopped, and the reaction can be changed to reflux, and the reaction can be maintained for 8 hours. The white solid in the bottle becomes an off-white solid and is cooled to below 10 ℃, further, 10% G of 280 sodium hydroxide solution was added dropwise, the mixture was stirred for 0.5-1 hour, and then 95-of concentrated hydrochloric acid was added dropwise below 20 °c. After dropping, the mixture was stirred for 0.5 hours, pH was adjusted to 6-7, filtered, washed with toluene, and the solution was allowed to stand and layered. The upper layer of toluene is washed once with ml of water, and the aqueous layer is removed. The toluene layer is dried with 30g of anhydrous sodium sulfate for 3-5 hours, filtered and fractionated under normal pressure, and the recovery temperature is 90-110 ℃, 110~120 ℃ of the solvent toluene, the recovery temperature is 100~110 ℃, 110~165 ℃ of the pre-fraction, the collection temperature is 165~180 ℃ of the fraction as the product of cyclohexanol, A total of 23G was obtained in a yield of 100%. |
| Application | cyclohexanmethanol is mainly used as an intermediate in organic synthesis and medicine, and can be used as a catalyst with titanium dioxide nanoparticles, the starting materials of cyclohexanaldehyde, cyclohexanecarboxylic acid, cyclohexanone and 1, 4-cyclohexanedione were synthesized by photocatalytic oxidation (PCO). |
| production method | cyclohexane chloride, absolute diethyl ether and magnesium Crumb were first prepared Grignard reagent, and then reacted with formaldehyde to generate cyclohexylmethanol. |
| autoignition temperature | 330°C |
Last Update：2024-04-09 19:55:45
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