1-Dodecyl-2-methylbenzene

Base Information

Chemical Name:1-Dodecyl-2-methylbenzene
CAS No.:78400-47-2
Molecular Formula:C₁₉H₃₂
Molecular Weight:260.463
Hs Code.:
DSSTox Substance ID:DTXSID10598100
Nikkaji Number:J91.300F
Wikidata:Q82493821
Mol file:78400-47-2.mol

Synonyms:1-DODECYL-2-METHYLBENZENE;78400-47-2;dodecyltoluene;2-tolyldodecane;DTXSID10598100

Suppliers and Price of 1-Dodecyl-2-methylbenzene

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

Total 3 raw suppliers

Chemical Property of 1-Dodecyl-2-methylbenzene

Chemical Property:

Boiling Point:351.0±12.0 °C(Predicted)
PSA：0.00000
Density:0.857±0.06 g/cm3(Predicted)
LogP:6.45840
XLogP3:8.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:0
Rotatable Bond Count:11
Exact Mass:260.250401021
Heavy Atom Count:19
Complexity:185

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCCCCCCCCC1=CC=CC=C1C

Technology Process of 1-Dodecyl-2-methylbenzene

There total 3 articles about 1-Dodecyl-2-methylbenzene 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: 97.0%

: 16419-60-6
2-Methylphenylboronic acid

: 143-15-7
1-dodecylbromide

: 78400-47-2
1-dodecyl-2-methyl-benzene

Guidance literature:: With palladium diacetate; potassium tert-butylate; 1,3,5,7-tetramethyl-6-(2,4-dimethoxyphenyl)-2,4,8-trioxa-6-phosphaadamantane; In 1,4-dioxane; at 20 ℃; for 25h;
DOI:10.1021/jo048875+

Reference yield: 77.0%

: 932-31-0
ortho-tolylmagnesium bromide

: 143-15-7
1-dodecylbromide

: 78400-47-2
1-dodecyl-2-methyl-benzene

Guidance literature:: With trans-dichloro-di[1,2-bis(diethylphosphino)ethane]-iron(II); In tetrahydrofuran; at 70 ℃; for 1.5h; Inert atmosphere;
DOI:10.1002/adsc.201301089

Reference yield: 65.0%

: 66107-34-4
2-methylphenyl triflate

: 78400-47-2
1-dodecyl-2-methyl-benzene

Guidance literature:: With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; 2-(dibutylphosphanyl)-1-phenylpyrrole; magnesium; lithium chloride; zinc(II) chloride; In tetrahydrofuran; at 60 ℃; for 16h; Inert atmosphere; Glovebox; Sealed tube;
DOI:10.1002/anie.201608535