2-(3-Hydroxyprop-1-ynyl)benzonitrile

Base Information

Chemical Name:2-(3-Hydroxyprop-1-ynyl)benzonitrile
CAS No.:210884-99-4
Molecular Formula:C₁₀H₇NO
Molecular Weight:157.172
Hs Code.:2926909090
DSSTox Substance ID:DTXSID00399628
Wikidata:Q82202285
Mol file:210884-99-4.mol

Synonyms:2-(3-hydroxyprop-1-ynyl)benzonitrile;210884-99-4;2-(3-hydroxyprop-1-yn-1-yl)benzonitrile;DTXSID00399628;ABSXJTJGIGJBOE-UHFFFAOYSA-N;MFCD04039091;AKOS006229206;PS-5904;2-(3-hydroxy-1-propyn-1-yl)benzonitrile;CS-0449694;FT-0724863

Suppliers and Price of 2-(3-Hydroxyprop-1-ynyl)benzonitrile

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

TRC
2-(3-Hydroxyprop-1-ynyl)benzonitrile
500mg
$ 110.00

SynQuest Laboratories
2-(3-Hydroxyprop-1-ynyl)benzonitrile
1 g
$ 148.00

SynQuest Laboratories
2-(3-Hydroxyprop-1-ynyl)benzonitrile
500 mg
$ 103.00

Crysdot
2-(3-Hydroxyprop-1-yn-1-yl)benzonitrile 95+%
1g
$ 309.00

ChemBridge Corporation
2-(3-hydroxy-1-propyn-1-yl)benzonitrile 95%
1 g
$ 46.00

American Custom Chemicals Corporation
2-(3-HYDROXYPROP-1-YNYL)BENZONITRILE 95.00%
1G
$ 737.58

American Custom Chemicals Corporation
2-(3-HYDROXYPROP-1-YNYL)BENZONITRILE 95.00%
500MG
$ 670.64

AHH
2-(3-HYDROXYPROP-1-YNYL)BENZONITRILE 97%
1g
$ 250.00

Total 7 raw suppliers

Chemical Property of 2-(3-Hydroxyprop-1-ynyl)benzonitrile

Chemical Property:

Vapor Pressure:3.2E-05mmHg at 25°C
Refractive Index:1.604
Boiling Point:341 °C at 760 mmHg
PKA:13.03±0.10(Predicted)
Flash Point:160 °C
PSA：44.02000
Density:1.2 g/cm³
LogP:0.90208
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:157.052763847
Heavy Atom Count:12
Complexity:249

Purity/Quality:

98% ^*data from raw suppliers

2-(3-Hydroxyprop-1-ynyl)benzonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C(=C1)C#CCO)C#N

Technology Process of 2-(3-Hydroxyprop-1-ynyl)benzonitrile

There total 2 articles about 2-(3-Hydroxyprop-1-ynyl)benzonitrile 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%

: 4387-36-4
2-iodobenzonitrile

: 107-19-7
propargyl alcohol

: 210884-99-4
2-(3-hydroxyprop-1-yn-1-yl)benzonitrile

Guidance literature:: With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; In acetonitrile; at -10 - 20 ℃; Schlenk technique; Inert atmosphere;
DOI:10.1021/acs.orglett.5b01027

Reference yield: 81.0%

: 2042-37-7
o-cyanobromobenzene

: 107-19-7
propargyl alcohol

: 210884-99-4
2-(3-hydroxyprop-1-yn-1-yl)benzonitrile

Guidance literature:: With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; at 50 ℃; for 2h; Inert atmosphere;
DOI:10.1039/c4cc01738b