1-Octyn-3-ol, 3-(4-methylbenzenesulfonate)

Base Information

Chemical Name:1-Octyn-3-ol, 3-(4-methylbenzenesulfonate)
CAS No.:79802-21-4
Molecular Formula:C₁₅H₂₀O₃S
Molecular Weight:280.388
Hs Code.:
DSSTox Substance ID:DTXSID301268666
Nikkaji Number:J1.287.192I

Synonyms:DTXSID301268666;79802-21-4;1-Octyn-3-ol, 3-(4-methylbenzenesulfonate)

Suppliers and Price of 1-Octyn-3-ol, 3-(4-methylbenzenesulfonate)

Supply Marketing:

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

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Chemical Property of 1-Octyn-3-ol, 3-(4-methylbenzenesulfonate)

Chemical Property:

XLogP3:4.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:7
Exact Mass:280.11331567
Heavy Atom Count:19
Complexity:391

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCCCCC(C#C)OS(=O)(=O)C1=CC=C(C=C1)C

Technology Process of 1-Octyn-3-ol, 3-(4-methylbenzenesulfonate)

There total 1 articles about 1-Octyn-3-ol, 3-(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: 100.0%

: 818-72-4,37911-28-7
1-Octyn-3-ol

: 98-59-9
p-toluenesulfonyl chloride

: 79802-21-4
oct-1-yn-3-yl 4-methylbenzenesulfonate

Guidance literature:: With potassium hydroxide; In diethyl ether; at -5 ℃; for 1h;
DOI:10.1016/S0040-4020(00)00115-0

Reference yield: 91.0%

: 79802-21-4
oct-1-yn-3-yl 4-methylbenzenesulfonate

: 40025-43-2
2-(4-Methoxyphenyl)-5-pentylfuran

Guidance literature:: With carbon monoxide; triphenylphosphine; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In dichloromethane; at 0 ℃; for 30h; under 760 Torr;
DOI:10.3987/com-02-s44

Reference yield:

: 79802-21-4
oct-1-yn-3-yl 4-methylbenzenesulfonate

: N-benzyl-2-(1-bromo-hept-1-enyl)pyrrolidine

Guidance literature:: Multi-step reaction with 4 steps

1.1: Zn; 1,2-dibromoethane; chlorotrimethylsilane / tetrahydrofuran / 12 h / 35 °C

1.2: CuCN; LiCl / tetrahydrofuran / 0.5 h / 0 °C

1.3: 95 percent / tetrahydrofuran / -40 - 20 °C

2.1: 88 percent / LiAlH₄ / diethyl ether / 2.5 h / -20 - 20 °C

3.1: ethanol

3.2: 80 percent / NaBH₄

4.1: 28 percent / LiBr; K₂CO₃; O₂ / Pd(OAc)2; Cu(OAc)2*H₂O / acetonitrile / 20 °C

With lithium aluminium tetrahydride; chloro-trimethyl-silane; oxygen; potassium carbonate; ethylene dibromide; lithium bromide; zinc; palladium diacetate; copper diacetate; In tetrahydrofuran; diethyl ether; ethanol; acetonitrile;
DOI:10.1021/ja001748k