4-tert-Butylbenzyl chloride
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4-tert-Butylbenzyl chloride
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CAS No:
19692-45-6
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Formula:
C11H15Cl
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Chemical Name:
4-tert-Butylbenzyl chloride
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Synonyms:
Benzene,1-(chloromethyl)-4-(1,1-dimethylethyl)-;Toluene,p-tert-butyl-α-chloro-;1-(Chloromethyl)-4-(1,1-dimethylethyl)benzene;4-tert-Butylbenzyl chloride;p-tert-Butylbenzyl chloride;4-(1,1-Dimethylethyl)benzyl chloride;1-Chloromethyl-4-tert-butylbenzene;1-(1,1-Dimethylethyl)-4-chloromethylbenzene;4-t-Butylbenzyl chloride;p-(Chloromethyl)-tert-butylbenzene;1-tert-Butyl-4-(chloromethyl)benzene
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CAS No:
Characteristics
0
4
Clear colorless to slightly yellow Liquid
0.945 g/mL at 25 °C(lit.)
-18 °C
115 °C @ Press: 16 Torr
202 °F
n 20/D 1.521(lit.)
Slightly soluble in water.
0.0594mmHg at 25°C
Safety Information
III
8
UN 3265 8/PG 2
3
34-36/37
26-27-28-36/37/39-45
C,Xi
Irritant
P261-P280-P305 + P351 + P338-P310
H314-H335
|Danger|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P337+P313, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 44 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-tert-Butylbenzyl chloride Use and Manufacturing
There are three synthetic processes for p-tert-butyl benzyl chloride. (1) Tert-butylbenzene chloromethylation method Put tert-butylbenzene, paraformaldehyde, acetic acid, hydrochloric acid and catalyst zinc chloride into the reactor, stir and heat to 85°C, slowly add phosphorus trichloride dropwise, React at this temperature for 8 hours, cool, and release the lower aqueous solution. The organic layer is dried with anhydrous sodium carbonate, and then beaten into a distillation kettle for distillation. The 65～100℃ (4.40kPa) fraction is cut into tert-butylbenzene, which can be recycled and used. The 120～125℃ (4.40kPa) fraction is divided into tertiary tertiary Butyl benzyl chloride. When the feed 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 chloride method p-tert-butyl toluene is prepared by reacting with ethyl chloroformate. Dissolve p-tert-butyltoluene in 100 mL of chlorobenzene, add ethyl chloroformate dropwise with stirring within 20 min at 25°C, and heat to 55°C for 6h reaction. After the reaction is completed, add a 30% sulfuric acid aqueous solution to the resulting reaction solution, react at 40°C until CO2 is generated, and proceed to the hydrolysis reaction, then cool the hydrolyzate and separate it into an organic layer and an aqueous layer. The organic layer is washed twice with water , Dried with anhydrous sodium sulfate, distilled off chlorobenzene under reduced pressure, and then collected 115-116°C (2.67kPa) fractions under reduced pressure to obtain the product with a yield of 71.1%.
P-tert-butyl benzyl chloride, also known as p-tert-butyl benzyl chloride, can be used as an intermediate for the production of acaricides pyridaben, and also used in the synthesis of anti-allergic drugs such as Ambroxine and Chlorphenazine. An important intermediate in organic synthesis, mainly used in medicine, pesticides and spices. The intermediate of anti-allergic drug An Qimin and chlorphenazine. Is an important intermediate in organic synthesis, mainly used in medicine, pesticides and spices
Benzene, 1-(chloromethyl)-4-(1,1-dimethylethyl)-: ACTIVE
Computed Properties
Molecular Weight:182.69
XLogP3:4
Rotatable Bond Count:2
Exact Mass:182.0862282
Monoisotopic Mass:182.0862282
Heavy Atom Count:12
Complexity:126
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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