(2S,6S)-4-(Phenylsulfonyl)-2,6-heptanediol

Base Information

Chemical Name:(2S,6S)-4-(Phenylsulfonyl)-2,6-heptanediol
CAS No.:130291-38-2
Molecular Formula:C13H20O4S
Molecular Weight:272.365
Hs Code.:
DSSTox Substance ID:DTXSID001267164

Synonyms:(2S,6S)-4-(Phenylsulfonyl)-2,6-heptanediol;SCHEMBL17055249;DTXSID001267164;130291-38-2

Suppliers and Price of (2S,6S)-4-(Phenylsulfonyl)-2,6-heptanediol

Supply Marketing:

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

Manufacturers and distributors:

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Chemical Property of (2S,6S)-4-(Phenylsulfonyl)-2,6-heptanediol

Chemical Property:

XLogP3:1.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:272.10823029
Heavy Atom Count:18
Complexity:317

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(CC(CC(C)O)S(=O)(=O)C1=CC=CC=C1)O
Isomeric SMILES:C[C@@H](CC(C[C@H](C)O)S(=O)(=O)C1=CC=CC=C1)O

Technology Process of (2S,6S)-4-(Phenylsulfonyl)-2,6-heptanediol

There total 2 articles about (2S,6S)-4-(Phenylsulfonyl)-2,6-heptanediol 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: 58.0%

: 3112-85-4
methylphenylsulfonate

: 16088-62-3
(S)-Propylene oxide

: 130291-38-2
(2S,6S)-4-(phenylsulfonyl)heptane-2,6-diol

: 148118-28-9
(3S)-1-phenylsulphonyl-3-hydroxybutane

Guidance literature:: methylphenylsulfonate; With n-butyllithium; In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide; hexane; at -78 ℃; for 1h;

(S)-Propylene oxide; In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide; hexane; at -78 - 20 ℃; for 74h;
DOI:10.1039/b105416n

Reference yield: 43.59%

: 3112-85-4
methylphenylsulfonate

: 16088-62-3
(S)-Propylene oxide

: 130291-38-2
(2S,6S)-4-(phenylsulfonyl)heptane-2,6-diol

Guidance literature:: methylphenylsulfonate; With n-butyllithium; In tetrahydrofuran; at 0 ℃; for 1h;

With N,N,N,N,N,N-hexamethylphosphoric triamide; In tetrahydrofuran; at -78 ℃; for 1h;

(S)-Propylene oxide; In tetrahydrofuran; at -78 - 20 ℃; for 2h;