4-tert-Butylbenzyl chloride
4-TERT-BUTYLBENZYL CHLORIDE
CAS: 19692-45-6
Molecular Formula: C11H15Cl
4-tert-Butylbenzyl chloride - Names and Identifiers
4-tert-Butylbenzyl chloride - Physico-chemical Properties
| Molecular Formula | C11H15Cl |
| Molar Mass | 182.69 |
| Density | 0.945g/mLat 25°C(lit.) |
| Melting Point | -18 °C |
| Boling Point | 101-105°C7mm Hg(lit.) |
| Flash Point | 202°F |
| Water Solubility | Slightly soluble in water. |
| Vapor Presure | 0.0594mmHg at 25°C |
| Appearance | Liquid |
| Specific Gravity | 0.945 |
| Color | Clear colorless to slightly yellow |
| BRN | 471673 |
| Storage Condition | under inert gas (nitrogen or Argon) at 2-8°C |
| Refractive Index | n20/D 1.521(lit.) |
| Physical and Chemical Properties | Boiling point 101-105 ° C 7mm Hg(lit.) density 0.945g/mL at 25°C(lit.) refractive index n20/D 1.521(lit.) flash point 202 °F BRN 471673 |
| Use | P-tert-butyl benzyl chloride, also known as P-tert-butyl benzyl chloride, can be used as an intermediate in the production of the acaricide pyridaben, and also used in the synthesis of anti-allergic drugs, amoxirin and chlorphenazine. Organic synthesis of important intermediates, mainly used in medicine, pesticides and spices. An intermediate of antiallergic drugs, antianaphylaxis, chlorphenazine. Is an important intermediate in organic synthesis, mainly used in medicine, pesticides and spices |
4-tert-Butylbenzyl chloride - Risk and Safety
| Risk Codes | R34 - Causes burns R36/37 - Irritating to eyes and respiratory system. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S27 - Take off immediately all contaminated clothing. S28 - After contact with skin, wash immediately with plenty of soap-suds. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) |
| UN IDs | UN 3265 8/PG 2 |
| WGK Germany | 3 |
| FLUKA BRAND F CODES | 21 |
| TSCA | Yes |
| HS Code | 29039990 |
| Hazard Note | Irritant |
| Hazard Class | 8 |
| Packing Group | III |
4-tert-Butylbenzyl chloride - Reference Information
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| Use | P-tert-butylchlorobenzyl is an intermediate used to prepare arylpyrazole carboyl hydrazide as a potential drug against A549 lung cancer cells. It can also be used in the synthesis of (acyloxybenzylpropyl) (hydroxymethoxybenzyl) thiourea as a vanillin-like receptor agonist and analgesic. P-tert-butylbenzyl chloride, also known as p-tert-butylbenzyl chloride, can be used as an intermediate for the production of the acaricide pyridaben, and is also used for the synthesis of anti-allergic drugs Anquin and chlorfenbuzine. P-tert-butylbenzyl chloride, also known as p-tert-butylbenzyl chloride, can be used as an intermediate for the production of the acaricide pyridaben, and is also used for the synthesis of anti-allergic drugs Anquin and chlorfenbuzine. An important intermediate in organic synthesis, mainly used in medicine, pesticides and spices. An intermediate of anti-allergic drugs Anquin and chlorphenazine. |
| production method | there are 3 synthesis processes for p-tert-butyl benzyl chloride. (1) The tert-butyl benzene chloromethylation method puts tert-butyl benzene, paraformaldehyde, acetic acid, hydrochloric acid and catalyst zinc chloride into the reactor, stirred and heated to 85 ℃, slowly added phosphorus trichloride, reacted at this temperature for 8h, cooled, and released the lower aqueous solution. The organic layer is dried with anhydrous sodium carbonate, and then rectified in a rectification kettle. The fraction at 65~100 ℃(4.40kPa) is cut into tert-butyl benzene, which can be recycled and applied. The fraction at 120~125 ℃(4.40kPa) is p-tert-butyl benzyl chloride. When the feeding amount is 13.4g, the product amount is 8.8g, the recovery amount is 5.5g, and the yield is 88%. (2) p-tert-butyl toluene chlorination method p-tert-butyl toluene is prepared by reacting with ethyl chloroformate. The p-tert-butyltoluene was dissolved in 100mL chlorobenzene, at 25 ℃, the ethyl chloroformate was added dropwise in 20min, and the temperature was raised to 55 ℃ for 6h. At the end of the reaction, add 30% sulfuric acid aqueous solution to the obtained reaction solution, react at 40 ℃ until the end of CO2, carry out hydrolysis reaction, then cool the hydrolysate, divide it into organic layer and water layer, wash the organic layer twice with water, dry with anhydrous sodium sulfate, evaporate chlorobenzene under reduced pressure, and then collect 115~116 ℃(2.67kPa) fractions under reduced pressure to obtain the product with a yield of 71.1%. There are 3 synthesis methods. 1. The tert-butanol method is obtained by chloromethylation of tert-butylbenzene. Put tert-butylbenzene, hydrochloric acid, paraformaldehyde, zinc chloride and glacial acetic acid into the reaction pot, add phosphorus trichloride dropwise at 65 ℃, and stir at 65-70 ℃ for 7 hours. Then cool to 30 ℃, take the upper benzyl chloride crude, remove hydrogen chloride, dehydration filtration, reduced pressure distillation, collect 124-132 ℃(3.33kPa) fraction, that is, to tert-butyl chloride benzyl. 2. tert-butyl benzene chloromethylation method 3. p-tert-butyl toluene chlorination method |
Last Update：2024-04-09 20:52:54
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View History
4-tert-Butylbenzyl chloride
1-乙基-3-甲基咪唑氯
3,3-dimethylbutanoate
5-ACETYL-2-CHLOROPHENYLBORONIC ACID
愈创木酚基甘油-β-愈创木基醚
1-乙基-3-甲基咪唑氯
3,3-dimethylbutanoate
5-ACETYL-2-CHLOROPHENYLBORONIC ACID
愈创木酚基甘油-β-愈创木基醚