5-Heptynenitrile, 7-hydroxy-

Base Information

Chemical Name:5-Heptynenitrile, 7-hydroxy-
CAS No.:69285-47-8
Molecular Formula:C₇H₉NO
Molecular Weight:123.155
Hs Code.:
DSSTox Substance ID:DTXSID60442962
Wikidata:Q82260597

Synonyms:6-Cyano-1-hydroxy-2-hexyne;5-Heptynenitrile, 7-hydroxy-;69285-47-8;6-cyano-hex-2-yn-1-ol;SCHEMBL10951772;DTXSID60442962;DPPAXROPUQULFK-UHFFFAOYSA-N

Suppliers and Price of 5-Heptynenitrile, 7-hydroxy-

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 1 raw suppliers

Chemical Property of 5-Heptynenitrile, 7-hydroxy-

Chemical Property:

XLogP3:0.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:123.068413911
Heavy Atom Count:9
Complexity:163

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C(CC#CCO)CC#N

Technology Process of 5-Heptynenitrile, 7-hydroxy-

There total 2 articles about 5-Heptynenitrile, 7-hydroxy- 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:

: 53574-62-2
7-bromo-5-heptynenitrile

: 100-52-7
benzaldehyde

: 69285-47-8
7-hydroxy-5-heptynenitrile

: 141375-96-4
1-(hydroxybenzyl)-5,6-heptadienenitrile

Guidance literature:: With chromium dichloride; In N,N-dimethyl acetamide; at 5 ℃; Yield given. Yields of byproduct given. Title compound not separated from byproducts;
DOI:10.1021/jo00041a006

Reference yield:

: 53574-62-2
7-bromo-5-heptynenitrile

: 2043-61-0
cyclohexanecarbaldehyde

: 69285-47-8
7-hydroxy-5-heptynenitrile

: 141375-97-5
1-<(1-hydroxycyyclohexyl)methyl>-5,6-heptadienenitrile

Guidance literature:: With chromium dichloride; In N,N-dimethyl acetamide; at 5 ℃; Yield given. Yields of byproduct given. Title compound not separated from byproducts;
DOI:10.1021/jo00041a006

Reference yield:

: 69285-47-8
7-hydroxy-5-heptynenitrile

: 185434-98-4
(Z)-8-Benzoyl-9-oxo-dec-5-enoic acid ethyl ester

Guidance literature:: Multi-step reaction with 5 steps

1: 87 percent / H₂, NaBH₄, Ni(OAc)2*4H₂O, ethylenediamine / methanol / 24 h / Ambient temperature

2: NaOH / methanol; H₂O / 24 h / Heating

3: BF₃*OEt₂ / 3 h / 60 °C

4: 76 percent / CBr₄, Ph₃P / CH₂Cl₂ / 1 h / Ambient temperature

5: 1.) K₂CO₃, Bu₄NBr / 1.) toluene, 100 deg C, 3 h, 2.) toluene, 40 deg C, 14 h

With sodium hydroxide; sodium tetrahydroborate; carbon tetrabromide; boron trifluoride diethyl etherate; tetrabutylammomium bromide; hydrogen; nickel diacetate; potassium carbonate; ethylenediamine; triphenylphosphine; In methanol; dichloromethane; water;
DOI:10.1021/jo9616365