Benzene, 1-(chloromethyl)-2-(1-methylethenyl)-

Base Information

Chemical Name:Benzene, 1-(chloromethyl)-2-(1-methylethenyl)-
CAS No.:866314-49-0
Molecular Formula:C10H11Cl
Molecular Weight:166.65
Hs Code.:
DSSTox Substance ID:DTXSID60467478
Nikkaji Number:J3.005.355I
Wikidata:Q82294438

Synonyms:866314-49-0;Benzene, 1-(chloromethyl)-2-(1-methylethenyl)-;chloromethylisopropenylbenzene;SCHEMBL7939440;DTXSID60467478;GINDJOKFJZFTAX-UHFFFAOYSA-N;AKOS006382916

Suppliers and Price of Benzene, 1-(chloromethyl)-2-(1-methylethenyl)-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of Benzene, 1-(chloromethyl)-2-(1-methylethenyl)-

Chemical Property:

PSA：0.00000
LogP:3.45850
XLogP3:3.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:0
Rotatable Bond Count:2
Exact Mass:166.0549280
Heavy Atom Count:11
Complexity:140

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(=C)C1=CC=CC=C1CCl

Technology Process of Benzene, 1-(chloromethyl)-2-(1-methylethenyl)-

There total 7 articles about Benzene, 1-(chloromethyl)-2-(1-methylethenyl)- 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: 95.0%

: 180092-32-4
[2-(1-methylethenyl)phenyl]methyl alcohol

: 866314-49-0
1-(chloromethyl)-2-(prop-1-en-2-yl)benzene

Guidance literature:: With thionyl chloride; In dichloromethane; at 0 - 5 ℃; for 1h;

Reference yield:

: 3609-46-9
2-(prop-1-en-2-yl)benzoic acid

: 866314-49-0
1-(chloromethyl)-2-(prop-1-en-2-yl)benzene

Guidance literature:: Multi-step reaction with 3 steps

1: N-methylmorpholine / tetrahydrofuran / -10 °C

2: NaBH₄ / H₂O / -15 - 20 °C

3: SOCl₂ / CHCl₃ / -10 - 20 °C

With 4-methyl-morpholine; sodium tetrahydroborate; thionyl chloride; In tetrahydrofuran; chloroform; water;
DOI:10.1002/ejoc.200500143

Reference yield:

: C₁₃H₁₄O₄

: 866314-49-0
1-(chloromethyl)-2-(prop-1-en-2-yl)benzene

Guidance literature:: Multi-step reaction with 2 steps

1: NaBH₄ / H₂O / -15 - 20 °C

2: SOCl₂ / CHCl₃ / -10 - 20 °C

With sodium tetrahydroborate; thionyl chloride; In chloroform; water;
DOI:10.1002/ejoc.200500143