5-Hexyn-2-ol, 1-[(4-methoxyphenyl)methoxy]-, (2S)-

Base Information

Chemical Name:5-Hexyn-2-ol, 1-[(4-methoxyphenyl)methoxy]-, (2S)-
CAS No.:268736-70-5
Molecular Formula:C14H18O3
Molecular Weight:234.295
Hs Code.:
DSSTox Substance ID:DTXSID20459470
Nikkaji Number:J1.987.502D
Wikidata:Q82283245

Synonyms:268736-70-5;5-Hexyn-2-ol, 1-[(4-methoxyphenyl)methoxy]-, (2S)-;DTXSID20459470;(S)-1-(4-Methoxybenzyloxy)-5-hexyne-2-ol

Suppliers and Price of 5-Hexyn-2-ol, 1-[(4-methoxyphenyl)methoxy]-, (2S)-

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 5-Hexyn-2-ol, 1-[(4-methoxyphenyl)methoxy]-, (2S)-

Chemical Property:

XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:7
Exact Mass:234.125594432
Heavy Atom Count:17
Complexity:235

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=CC=C(C=C1)COCC(CCC#C)O
Isomeric SMILES:COC1=CC=C(C=C1)COC[C@H](CCC#C)O

Technology Process of 5-Hexyn-2-ol, 1-[(4-methoxyphenyl)methoxy]-, (2S)-

There total 7 articles about 5-Hexyn-2-ol, 1-[(4-methoxyphenyl)methoxy]-, (2S)- 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: 90.0%

: 18295-60-8
allenylmagnesium bromide

: 80910-01-6,108836-41-5,134733-19-0,144069-33-0
(S)-2-[(4-methoxybenzyloxy)methyl]oxirane

: 268736-70-5
(2S)-1-[(4-methoxybenzyl)oxy]hex-5-yn-2-ol

Guidance literature:: In diethyl ether; at -78 - 25 ℃; for 1h;
DOI:10.1002/1521-3773(20011015)40:20<3849::AID-ANIE3849>3.0.CO;2-M

Reference yield: 83.0%

: 1326704-09-9
(2S)-1-[(4-methoxybenzyl)oxy]-6-(trimethylsilyl)hex-5-yn-2-ol

: 268736-70-5
(2S)-1-[(4-methoxybenzyl)oxy]hex-5-yn-2-ol

Guidance literature:: With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 0 ℃; for 1h; Inert atmosphere;
DOI:10.1002/chem.201100986

Reference yield:

: 824-94-2
p-methoxybenzyl chloride

: 268736-70-5
(2S)-1-[(4-methoxybenzyl)oxy]hex-5-yn-2-ol

Guidance literature:: Multi-step reaction with 2 steps

1.1: NaH / dimethylformamide / 1 h / 25 °C

1.2: 71 percent / tetra-n-butylammonium iodide / dimethylformamide / 4 h / 25 °C

2.1: diethyl ether / 0.08 h / -78 °C

With sodium hydride; In diethyl ether; N,N-dimethyl-formamide;
DOI:10.1021/ja0304953