1-(Chloromethyl)-4-octylbenzene

Base Information

Chemical Name:1-(Chloromethyl)-4-octylbenzene
CAS No.:40016-26-0
Molecular Formula:C15H23 Cl
Molecular Weight:238.801
Hs Code.:2903999090
DSSTox Substance ID:DTXSID201303754
Nikkaji Number:J2.486.691B
Mol file:40016-26-0.mol

Synonyms:1-(chloromethyl)-4-octylbenzene;40016-26-0;4-octylbenzyl chloride;MFCD12923001;Benzene,1-(chloromethyl)-4-octyl-;C15H23Cl;SCHEMBL6051278;1-Chloromethyl-4-n-octylbenzene;ZVHWQQPJHLSYKL-UHFFFAOYSA-N;DTXSID201303754;AC8312;AKOS015958622;AS-62980;SY262752;F9995-1136

Suppliers and Price of 1-(Chloromethyl)-4-octylbenzene

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
1-(CHLOROMETHYL)-4-OCTYLBENZENE 95.00%
5MG
$ 500.29

Alfa Aesar
1-Chloromethyl-4-n-octylbenzene, 96%
1g
$ 132.00

Alfa Aesar
1-Chloromethyl-4-n-octylbenzene, 96%
250mg
$ 48.30

AK Scientific
1-(Chloromethyl)-4-octylbenzene
5g
$ 998.00

Total 7 raw suppliers

Chemical Property of 1-(Chloromethyl)-4-octylbenzene

Chemical Property:

PSA：0.00000
LogP:5.32840
XLogP3:6.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:0
Rotatable Bond Count:8
Exact Mass:238.1488284
Heavy Atom Count:16
Complexity:148

Purity/Quality:

99% ^*data from raw suppliers

1-(CHLOROMETHYL)-4-OCTYLBENZENE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCCCCC1=CC=C(C=C1)CCl

Technology Process of 1-(Chloromethyl)-4-octylbenzene

There total 6 articles about 1-(Chloromethyl)-4-octylbenzene 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: 81.0%

: 40016-25-9
4-n-octylbenzenemethanol

: 40016-26-0
1-chloromethyl-4-n-octylbenzene

Guidance literature:: With thionyl chloride; In acetonitrile; at 90 ℃; for 1h;

Reference yield:

: 1126-46-1
Methyl 4-chlorobenzoate

: 40016-26-0
1-chloromethyl-4-n-octylbenzene

Guidance literature:: Multi-step reaction with 3 steps

1: iron(III)-acetylacetonate / tetrahydrofuran; 1-methyl-pyrrolidin-2-one / 2 h / 20 °C / Inert atmosphere

2: lithium aluminium tetrahydride / tetrahydrofuran / 2 - 20 °C / Inert atmosphere

3: thionyl chloride / acetonitrile / 1 h / 90 °C

With lithium aluminium tetrahydride; thionyl chloride; iron(III)-acetylacetonate; In tetrahydrofuran; 1-methyl-pyrrolidin-2-one; acetonitrile;

Reference yield:

: 17049-49-9
octylmagnesium bromide

: 40016-26-0
1-chloromethyl-4-n-octylbenzene

Guidance literature:: Multi-step reaction with 3 steps

1: iron(III)-acetylacetonate / tetrahydrofuran; 1-methyl-pyrrolidin-2-one; diethyl ether / 2 h / 20 °C / Inert atmosphere

2: lithium aluminium tetrahydride / tetrahydrofuran / 2 - 20 °C / Inert atmosphere

3: thionyl chloride / acetonitrile / 1 h / 90 °C

With lithium aluminium tetrahydride; thionyl chloride; iron(III)-acetylacetonate; In tetrahydrofuran; 1-methyl-pyrrolidin-2-one; diethyl ether; acetonitrile;