p-tert-Butylbenzyl chloride

Base Information

• Chemical Name: p-tert-Butylbenzyl chloride
• CAS No.: 19692-45-6
• Molecular Formula: C11H15Cl
• Molecular Weight: 182.693
• Hs Code.: 29039990
• European Community (EC) Number: 243-228-8
• DSSTox Substance ID: DTXSID7066516
• Nikkaji Number: J31.719E
• Wikidata: Q72502406
• Mol file: 19692-45-6.mol

Synonyms:19692-45-6;4-tert-Butylbenzyl chloride;p-tert-Butylbenzyl chloride;1-(tert-butyl)-4-(chloromethyl)benzene;1-tert-Butyl-4-(chloromethyl)benzene;4-(tert-Butyl)benzyl chloride;Benzene, 1-(chloromethyl)-4-(1,1-dimethylethyl)-;4-|tert|-Butylbenzyl chloride;4-(Tert-Butyl) Benzyl Chloride;p-tert-Butyl-alpha-chlorotoluene;p-(tert-Butyl)-alpha-chlorotoluene;p-tert-Butyl-.alpha.-chlorotoluene;EINECS 243-228-8;4-(Tert-Butyl)benzylchloride;Benzene, 1-chloromethyl-4-(1,1-dimethylethyl)-;4-tert-butyl benzyl chloride;4-tert-butylbenzylchloride;4-t-butylbenzylchloride;4-t-butylbenzyl chloride;p-(t-butyl)benzyl chloride;4-tert. butylbenzylchloride;4-tert.butylbenzyl chloride;4-tert-butyl-benzyl chloride;4-tert.-butylbenzyl chloride;4-tert.-butyl-benzyl chloride;SCHEMBL1204683;P-T-BUTYLBENZYL CHLORIDE;4-(tert-Butyl)-a-chlorotoluene;DTXSID7066516;4-tert-Butyl-alpha-chlorotoluene;WAXIFMGAKWIFDQ-UHFFFAOYSA-;1-Chloromethyl-4-tert-butylbenzene;1-tert-butyl-4-chloromethylbenzene;4-tert-Butylbenzyl chloride, 99%;BBL100032;MFCD00000918;STL185568;AKOS000268738;1-tert-butyl-4-(chloromethyl)-benzene;SC10144;1-tert-Butyl-4-(chloromethyl)benzene #;AC-26173;AS-12156;AM20030274;B2235;Benzene,1-(chloromethyl)-4-dimethylethyl)-;FT-0619476;EN300-21670;A22486;W-107685;1-(Chloromethyl)-4-(1,1-dimethylethyl)-benzene;P-T-Butylbenzyl chloride;P-Tert-butylbenzyl chloride

Chemical Property of p-tert-Butylbenzyl chloride

Chemical Property:

• Appearance/Colour: colorless to light yellow liquid
• Vapor Pressure: 0.0594mmHg at 25°C
• Melting Point: -18 °C
• Refractive Index: n20/D 1.521(lit.)
• Boiling Point: 240.2 °C at 760 mmHg
• Flash Point: 94.4 °C
• PSA: 0.00000
• Density: 0.993 g/cm³
• LogP: 3.72290
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Water Solubility.: Slightly soluble in water.
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 182.0862282
• Heavy Atom Count: 12
• Complexity: 126

Purity/Quality:

99% ^*data from raw suppliers

4-tert-Butylbenzyl Chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C,Xi
• Statements: 34-36/37
• Safety Statements: 26-27-28-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)CCl
• Uses: 4-tert-Butylbenzyl chloride has been used to control molecular weight and prevent microgel formation during polymerization reaction.

Technology Process of p-tert-Butylbenzyl chloride

There total 34 articles about p-tert-Butylbenzyl chloride which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 94.0%

p-tert-butylbenzyl alcohol (877-65-6) → 4-tert-butylbenzyl chloride (19692-45-6)

Guidance literature:

With benzoyl chloride; 2,3-diethyl-2-cyclopropen-1-one; In tert-butyl methyl ether; at 20 ℃; for 24h; Reagent/catalyst; Temperature; Catalytic behavior;

DOI:10.1021/acs.orglett.8b01023

Reference yield: 91.0%

tert-butylbenzene (253185-03-4,253185-04-5) + methylamine (74-89-5) → 4-tert-butylbenzyl chloride (19692-45-6)

Guidance literature:

With chloroethane; oxalic acid; copper(l) chloride; In cyclohexane; at 75 ℃; for 13h; Temperature;

Reference yield: 88.0%

p-tert-butylbenzyl alcohol (877-65-6) + acetyl chloride (75-36-5) → 4-tert-butylbenzyl acetate (67364-88-9) + 4-tert-butylbenzyl chloride (19692-45-6)

Guidance literature:

With 2,3-diethyl-2-cyclopropen-1-one; In tert-butyl methyl ether; at 20 ℃; for 20h; Reagent/catalyst;

DOI:10.1021/acs.orglett.8b01023

upstream raw materials:

formaldehyd

tert-butylbenzene

chloromethyl methyl ether

methyl 4-tert-butylbenzoate

Downstream raw materials:

1-(4-tert-butyl-phenyl)-3,3-dimethyl-butan-2-one

2-(4-tert-Butyl-benzyl)-1-(4-tert-butyl-phenyl)-3,3-dimethyl-butan-2-ol

2-[1-(4-tert-Butyl-benzyl)-piperidin-4-yl]-1H-benzoimidazole

(4-tert-butyl-benzyl)-formamidomalonic acid diethyl ester

Refernces

• 1、 Denegri, Bernard,Mati?, Mirela,Va?ko, Monika. "Mechanism of solvolysis of substituted benzyl chlorides in aqueous ethanol". supporting information. . Retrieved 2021/11/22.
• 2、 Alfaifi, Mohammad Y.,Elbehairi, Serag Eldin I.,Elshaarawy, Reda F. M.,Gad, Emad M.,Shati, Ali A.. "Fine-tuning of the pharmacological potential of novel thiazolium ionic liquids by anion alteration". . p. 458 - 469. Retrieved 2022/01/19.