(1-Chloro-1-methylethyl)benzene

Base Information

• Chemical Name: (1-Chloro-1-methylethyl)benzene
• CAS No.: 934-53-2
• Molecular Formula: C9H11 Cl
• Molecular Weight: 154.639
• Hs Code.: 2903999090
• European Community (EC) Number: 213-284-8
• UNII: MEG7ZUL2X0
• DSSTox Substance ID: DTXSID80239412
• Nikkaji Number: J31.723C
• Wikidata: Q83121768
• Mol file: 934-53-2.mol

Synonyms:934-53-2;(1-Chloro-1-methylethyl)benzene;alpha,alpha-Dimethylbenzyl chloride;cumyl chloride;(2-chloropropan-2-yl)benzene;2-chloropropan-2-ylbenzene;Benzene, (1-chloro-1-methylethyl)-;a,a-dimethylbenzylchloride;(2-Chloroprop-2-yl)benzene;alpha,alpha-Dimethylbenzylchloride;2-chloro-2-phenylpropane;EINECS 213-284-8;MEG7ZUL2X0;cumylchloride;alpha-cumyl chloride;Benzene,(1-chloro-1-methylethyl)-;UNII-MEG7ZUL2X0;A,A-Dimethylbenzyl chloride;(2-Chloroprop-2-yl)benzen;C6H5C(CH3)2Cl;SCHEMBL42357;2-chloranylpropan-2-ylbenzene;DTXSID80239412;(1-chloro-1-methyl-ethyl)-benzene;MFCD00040715;AKOS006229369;alpha , alpha -dimethylbenzyl chloride;(1-METHYL-1-CHLOROETHYL)BENZENE;AS-44224;FT-0633138;EN300-173727;A844595

Chemical Property of (1-Chloro-1-methylethyl)benzene

Chemical Property:

• Vapor Pressure: 0.468mmHg at 25°C
• Melting Point: -43.35°C (estimate)
• Refractive Index: 1.5290
• Boiling Point: 200.1°Cat760mmHg
• Flash Point: 73°C
• PSA: 0.00000
• Density: 1.024g/cm³
• LogP: 3.16050
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 154.0549280
• Heavy Atom Count: 10
• Complexity: 101

Purity/Quality:

≥99.0% ^*data from raw suppliers

(2-Chloropropan-2-yl)benzene ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34-36
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C1=CC=CC=C1)Cl

Technology Process of (1-Chloro-1-methylethyl)benzene

There total 30 articles about (1-Chloro-1-methylethyl)benzene 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: 86.0%

Isopropylbenzene (98-82-8) + N-chloro-N-(4-methylphenyl)acetamide (14596-60-2) → cumenyl chloride (934-53-2) + 2-chlorocumene (2077-13-6) + 1-chloro-4-isopropylbenzene (2621-46-7) + 3-chloro-2-phenylprop-1-ene (3360-52-9) + 4-Methylacetanilide (103-89-9)

Guidance literature:

at 110 ℃; for 12h; Mechanism; Darkness;

DOI:10.1080/10426507.2016.1268137

Reference yield: 85.0%

2-phenyl-2-propyl phenyl sulfide (4148-93-0) → cumenyl chloride (934-53-2)

Guidance literature:

With (Dichloroiodo)benzene; In dichloromethane; at 20 ℃; for 0.0833333h; Inert atmosphere;

DOI:10.1021/acs.orglett.7b00077

Reference yield: 77.0%

isopropenylbenzene (98-83-9,6144-04-3,25014-31-7,42612-14-6) → cumenyl chloride (934-53-2)

Guidance literature:

With hydrogenchloride; at 0 ℃; for 7h;

DOI:10.1021/jo00242a024

upstream raw materials:

Isopropylbenzene

1-methyl-1-phenylethyl alcohol

isopropenylbenzene

Dichlorodifluoromethane

Downstream raw materials:

Cumyl methyl ether

1-hexyl-4-phenyl-piperidin-4-ol

3-hexyl-6-methyl-6-phenyl-tetrahydro-[1,3]oxazine

6-methyl-6-phenyl-[1,3]oxazinane

Refernces

• 1、 Ouardad, Samira,Wirotius, Anne-Laure,Kostjuk, Sergei,Ganachaud, Fran?ois,Peruch, Frédéric. "Carbocationic polymerization of isoprene using cumyl initiators: Progress in understanding side reactions". . p. 59218 - 59225. Retrieved 2015.
• 2、 Mohite, Amar R.,Phatake, Ravindra S.,Dubey, Pooja,Agbaria, Mohamed,Shames, Alexander I.,Lemcoff, N. Gabriel,Reany, Ofer. "Thiourea-Mediated Halogenation of Alcohols". supporting information. p. 12901 - 12911. Retrieved 2020/11/26.
• 3、 Cheng, Baoxiang,Xu, Jiaxi. "Mechanistic insight into the thermal 1,3-chlorine migrations of N-chloroacetanilides under neutral conditions". . p. 518 - 525. Retrieved 2017/05/01.