1-Hexan-1,1-d2-ol, 4-methylbenzenesulfonate

Base Information

Chemical Name:1-Hexan-1,1-d2-ol, 4-methylbenzenesulfonate
CAS No.:86369-58-6
Molecular Formula:C₁₃H₂₀O₃S
Molecular Weight:258.35
Hs Code.:
DSSTox Substance ID:DTXSID401260760

Synonyms:1-Hexan-1,1-d2-ol, 4-methylbenzenesulfonate;DTXSID401260760;86369-58-6

Suppliers and Price of 1-Hexan-1,1-d2-ol, 4-methylbenzenesulfonate

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 0 raw suppliers

Chemical Property of 1-Hexan-1,1-d2-ol, 4-methylbenzenesulfonate

Chemical Property:

XLogP3:3.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:7
Exact Mass:258.12586916
Heavy Atom Count:17
Complexity:284

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCCCCCOS(=O)(=O)C1=CC=C(C=C1)C
Isomeric SMILES:[2H]C([2H])(CCCCC)OS(=O)(=O)C1=CC=C(C=C1)C

Technology Process of 1-Hexan-1,1-d2-ol, 4-methylbenzenesulfonate

There total 3 articles about 1-Hexan-1,1-d2-ol, 4-methylbenzenesulfonate 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: 98.0%

: 52598-04-6
1-<1,1-(2)H2>hexanol

: 98-59-9
p-toluenesulfonyl chloride

: 86369-58-6
1-<1,1-(2)H2>hexyl p-toluenesulfonate

Guidance literature:: With pyridine; In dichloromethane; at 20 ℃; for 24h;
DOI:10.1021/ja049184y

Reference yield:

: 106-70-7
methyl hexanoate

: 86369-58-6
1-<1,1-(2)H2>hexyl p-toluenesulfonate

Guidance literature:: Multi-step reaction with 2 steps

1: 92 percent / LiAlD₄ / tetrahydrofuran / 3 h / 25 °C

2: 98 percent / pyridine / CH₂Cl₂ / 24 h / 20 °C

With pyridine; lithium aluminium deuteride; In tetrahydrofuran; dichloromethane;
DOI:10.1021/ja049184y

Reference yield:

: 2051-49-2
n-hexanoic anhydride

: 86369-58-6
1-<1,1-(2)H2>hexyl p-toluenesulfonate

Guidance literature:: Multi-step reaction with 2 steps

1: 95 percent / LiAl⁽²⁾H₄ / diethyl ether / Heating

2: 97 percent / pyridine

With lithium aluminium deuteride; In pyridine; diethyl ether;
DOI:10.1021/ja00277a040