{4-[(Prop-2-en-1-yl)oxy]phenyl}acetonitrile

Base Information

Chemical Name:{4-[(Prop-2-en-1-yl)oxy]phenyl}acetonitrile
CAS No.:515163-31-2
Molecular Formula:C11H11NO
Molecular Weight:173.21114
Hs Code.:2926909090
DSSTox Substance ID:DTXSID40476442
Nikkaji Number:J1.842.077E
Wikidata:Q82307811
Mol file:515163-31-2.mol

Synonyms:515163-31-2;{4-[(Prop-2-en-1-yl)oxy]phenyl}acetonitrile;DTXSID40476442;AKOS000175535

Suppliers and Price of {4-[(Prop-2-en-1-yl)oxy]phenyl}acetonitrile

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
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price

Total 1 raw suppliers

Chemical Property of {4-[(Prop-2-en-1-yl)oxy]phenyl}acetonitrile

Chemical Property:

PSA：33.02000
LogP:2.31748
XLogP3:2.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:173.084063974
Heavy Atom Count:13
Complexity:195

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C=CCOC1=CC=C(C=C1)CC#N

Technology Process of {4-[(Prop-2-en-1-yl)oxy]phenyl}acetonitrile

There total 4 articles about {4-[(Prop-2-en-1-yl)oxy]phenyl}acetonitrile 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: 97.0%

: 14191-95-8
4-cyanomethylphenol

: 106-95-6
allyl bromide

: 515163-31-2
2-(4-(allyloxy)phenyl)acetonitrile

Guidance literature:: In acetonitrile; for 6h; Reflux; Inert atmosphere;
DOI:10.1039/d0tc04571c

Reference yield: 53.0%

: C₁₁H₁₂O₂

: 515163-31-2
2-(4-(allyloxy)phenyl)acetonitrile

Guidance literature:: With ammonia; iodine; at 0 ℃; for 1h;
DOI:10.1002/ejoc.201700277

Reference yield:

: 40663-68-1
4-(2-propenyloxy)benzaldehyde

: 515163-31-2
2-(4-(allyloxy)phenyl)acetonitrile

Guidance literature:: Multi-step reaction with 3 steps

1: tetrahydrofuran / 2 h / 0 - 20 °C

2: toluene-4-sulfonic acid / water; acetonitrile / 6 h / 0 - 20 °C

3: iodine; ammonia / 1 h / 0 °C

With ammonia; iodine; toluene-4-sulfonic acid; In tetrahydrofuran; water; acetonitrile; 1: |Wittig Olefination;
DOI:10.1002/ejoc.201700277