3-Allyl-4-hydroxybenzonitrile

Base Information

Chemical Name:3-Allyl-4-hydroxybenzonitrile
CAS No.:90923-69-6
Molecular Formula:C10H9NO
Molecular Weight:159.188
Hs Code.:
NSC Number:87354
DSSTox Substance ID:DTXSID90920061
Nikkaji Number:J2.222.660F
Wikidata:Q82892712

Synonyms:3-allyl-4-hydroxybenzonitrile;90923-69-6;4-hydroxy-3-(prop-2-en-1-yl)benzonitrile;4-hydroxy-3-prop-2-enylbenzonitrile;2-allyl-4-cyanophenol;NSC87354;NCIOpen2_001112;3-allyl-4-hydroxy-benzonitrile;SCHEMBL1400243;DTXSID90920061;ORYLHBCOOJPTRE-UHFFFAOYSA-N;NSC-87354;FT-0744457

Suppliers and Price of 3-Allyl-4-hydroxybenzonitrile

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 5 raw suppliers

Chemical Property of 3-Allyl-4-hydroxybenzonitrile

Chemical Property:

Vapor Pressure:0.000564mmHg at 25°C
Boiling Point:302.1°C at 760 mmHg
Flash Point:136.5°C
Density:1.12g/cm³
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:159.068413911
Heavy Atom Count:12
Complexity:203

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C=CCC1=C(C=CC(=C1)C#N)O

Technology Process of 3-Allyl-4-hydroxybenzonitrile

There total 9 articles about 3-Allyl-4-hydroxybenzonitrile 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: 79.0%

: 33148-47-9
4-allyloxy-benzonitrile

: 90923-69-6
3-allyl-4-hydroxy-benzonitrile

Guidance literature:: In neat (no solvent); at 190 ℃; for 12h; Sealed tube;
DOI:10.1016/j.molstruc.2021.130907

Reference yield:

: 33148-47-9
4-allyloxy-benzonitrile

: 90923-69-6
3-allyl-4-hydroxy-benzonitrile

: 767-00-0
4-cyanophenol

Guidance literature:: In methanol; Further Variations:; Solvents; Product distribution; Irradiation;
DOI:10.1021/ja011981y

Reference yield:

: 767-00-0
4-cyanophenol

: 90923-69-6
3-allyl-4-hydroxy-benzonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: 100 percent / Cs₂CO₃ / dimethylformamide; H₂O / 12 h / 20 °C

2: 69 percent / 20 h / 200 °C

With caesium carbonate; In water; N,N-dimethyl-formamide; 2: Claisen rearrangement;
DOI:10.1021/jm061299k