4-Isopropylbenzyl chloride

Base Information

• Chemical Name: 4-Isopropylbenzyl chloride
• CAS No.: 2051-18-5
• Molecular Formula: C10H13Cl
• Molecular Weight: 168.666
• European Community (EC) Number: 218-114-6
• NSC Number: 33915
• UNII: XD5932E3V5
• DSSTox Substance ID: DTXSID9062144
• Nikkaji Number: J31.731D
• Wikidata: Q72485787
• Mol file: 2051-18-5.mol

Synonyms:4-Isopropylbenzyl chloride;2051-18-5;1-(chloromethyl)-4-isopropylbenzene;p-Cymene, 7-chloro-;p-Isopropylbenzyl chloride;Benzene, 1-(chloromethyl)-4-(1-methylethyl)-;7-Chloro-p-cymene;1-(chloromethyl)-4-(propan-2-yl)benzene;1-(chloromethyl)-4-propan-2-ylbenzene;p-Isopropyl benzyl chloride;Benzene, 1-(chloromethyl)-4-(methylethyl)-;4-Isopropylbenzyl chloride, tech grade;EINECS 218-114-6;MFCD00018885;NSC 33915;NSC-33915;4-Isopropylbenzylchloride;Cuminylchlorid;Cuminyl chloride;p-(Chloromethyl)cumene;p-Isopropylbenzylchoride;p-Isopropylbenzylchloride;4-Isopropyl benzyl chloride;para-isopropylbenzyl chloride;SCHEMBL51783;para-isopropyl-benzyl chloride;DTXSID9062144;4-(1-methylethyl)benzyl chloride;4-Isopropylbenzyl chloride, 97%;XD5932E3V5;CAA05118;NSC33915;BBL027849;STK801403;AKOS000121576;VS-08601;1-(Chloromethyl)-4-(1-methylethyl)benzene;Benzene, 1-chloromethyl-4-(1-methylethyl);FT-0618836;I0225;EN300-16589;F72257;A879589;Z56347087

Chemical Property of 4-Isopropylbenzyl chloride

Chemical Property:

• Vapor Pressure: 0.112mmHg at 25°C
• Refractive Index: n20/D 1.5230(lit.)
• Boiling Point: 228.2 °C at 760 mmHg
• Flash Point: 88.6 °C
• Density: 1.008g/cm³
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 168.0705781
• Heavy Atom Count: 11
• Complexity: 101

Purity/Quality:

99% ^*data from raw suppliers

4-Isopropylbenzyl Chloride (contains ca. 10% o-form) ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)C1=CC=C(C=C1)CCl
• Uses: 4-Isopropylbenzyl Chloride (CAS# 2051-18-5) can be used to reduce herbicidal damage.

Technology Process of 4-Isopropylbenzyl chloride

There total 21 articles about 4-Isopropylbenzyl 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: 85.0%

Isopropylbenzene (98-82-8) + Dimethoxymethane (109-87-5) → 4-isopropylbenzyl chloride (2051-18-5)

Guidance literature:

Dimethoxymethane; With chlorosulfonic acid; zinc(II) iodide; In dichloromethane; at -10 ℃; for 0.5h;

Isopropylbenzene; In dichloromethane; at 5 - 10 ℃; for 1h;

DOI:10.1177/1747519819836488

Reference yield: 84.0%

(4-isopropylbenzaldehyde) (122-03-2) → 4-isopropylbenzyl chloride (2051-18-5)

Guidance literature:

(4-isopropylbenzaldehyde); With sodium tetrahydroborate; In tetrahydrofuran; methanol; at 0 - 20 ℃; Inert atmosphere; Schlenk technique; Glovebox;

With thionyl chloride; In dichloromethane; at 5 - 20 ℃; Inert atmosphere; Schlenk technique; Glovebox;

Reference yield: 28.4%

Isopropylbenzene (98-82-8) + chloromethyl methyl ether (107-30-2) → 4-isopropylbenzyl chloride (2051-18-5)

Guidance literature:

With tin(IV) chloride; at 0 ℃; for 2h;

DOI:10.1021/jo01304a015

upstream raw materials:

formaldehyd

Isopropylbenzene

4-methylisopropylbenzene

chloromethyl methyl ether

Downstream raw materials:

1-(p-Isopropylbenzyl)piperazine

(4-chloro-phenyl)-(4-isopropyl-benzyl)-ether

(4-isopropyl-phenyl)-o-tolyl-methane

3-(4-isopropyl-phenyl)-2,2-dimethyl-1-phenyl-propan-1-one

Refernces

• 1、 -. "Preparation method of P-isopropyl benzaldehyde and from isopropylbenzene". Paragraph 0058-0061; 0066-0068; 0072-0074; 0079-0081; .... . Retrieved 2021/10/30.
• 2、 Tang, Jian,Liu, Hongtao,Zhou, Jing,Zhang, Xingxian. "An efficient and convenient chloromethylation of some aromatic compounds catalyzed by zinc iodide". . p. 34 - 38. Retrieved 2019/06/21.