(E)-3-Octadecen-13-yn-1-ol acetate

Base Information

Chemical Name:(E)-3-Octadecen-13-yn-1-ol acetate
CAS No.:71393-99-2
Molecular Formula:C20H34O2
Molecular Weight:306.489
Hs Code.:
DSSTox Substance ID:DTXSID401274549
Nikkaji Number:J446.799J
Mol file:71393-99-2.mol

Synonyms:(E)-3-Octadecen-13-yn-1-ol acetate;71393-99-2;3-Octadecen-13-yn-1-ol, 1-acetate, (3E)-;3-Octadecen-13-yn-1-ol, acetate, (3E)-;DTXSID401274549;3-Octadecen-13-yn-1-ol, acetate, (E)-

Suppliers and Price of (E)-3-Octadecen-13-yn-1-ol acetate

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 (E)-3-Octadecen-13-yn-1-ol acetate

Chemical Property:

Vapor Pressure:1.22E-06mmHg at 25°C
Boiling Point:401°Cat760mmHg
Flash Point:169°C
PSA：26.30000
Density:0.903g/cm³
LogP:5.81020
XLogP3:7.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:14
Exact Mass:306.255880323
Heavy Atom Count:22
Complexity:343

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCC#CCCCCCCCCC=CCCOC(=O)C
Isomeric SMILES:CCCCC#CCCCCCCCC/C=C/CCOC(=O)C

Technology Process of (E)-3-Octadecen-13-yn-1-ol acetate

There total 6 articles about (E)-3-Octadecen-13-yn-1-ol acetate 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: 91.0%

: 108-24-7
acetic anhydride

: 799803-87-5
(E)-octadec-3-en-13-yn-1-ol

: 71393-99-2
(E)-octadec-3-en-13-yn-1-yl acetate

Guidance literature:: With pyridine; dmap;
DOI:10.1016/j.tet.2004.08.094

Reference yield:

: 50816-19-8
8-bromooctanol

: 71393-99-2
(E)-octadec-3-en-13-yn-1-yl acetate

Guidance literature:: Multi-step reaction with 5 steps

1.1: 70 percent / pyridine / CH₂Cl₂ / 1 h / 0 °C

2.1: n-BuLi / tetrahydrofuran; hexane / 0.25 h / 0 °C

2.2: tetrahydrofuran; hexane / 1 h / 0 °C

2.3: 58 percent / tetrahydrofuran; hexane / 1 h / 0 °C

3.1: 99 percent / PPTS / diethyl ether / 4 h / 60 °C

4.1: LiAlH₄ / 1,2-dimethoxy-ethane / 18 h / Heating

5.1: 91 percent / pyridine; DMAP

With pyridine; dmap; lithium aluminium tetrahydride; n-butyllithium; pyridinium p-toluenesulfonate; In tetrahydrofuran; 1,2-dimethoxyethane; diethyl ether; hexane; dichloromethane;
DOI:10.1016/j.tet.2004.08.094

Reference yield:

: 66410-23-9
3,13-octadecadiin-1-ol

: 71393-99-2
(E)-octadec-3-en-13-yn-1-yl acetate

Guidance literature:: Multi-step reaction with 2 steps

1: LiAlH₄ / 1,2-dimethoxy-ethane / 18 h / Heating

2: 91 percent / pyridine; DMAP

With pyridine; dmap; lithium aluminium tetrahydride; In 1,2-dimethoxyethane;
DOI:10.1016/j.tet.2004.08.094