alpha-[(Formyloxy)methyl]benzenepropanenitrile

Base Information

Chemical Name:alpha-[(Formyloxy)methyl]benzenepropanenitrile
CAS No.:104876-36-0
Molecular Formula:C11H11NO2
Molecular Weight:189.214
Hs Code.:
DSSTox Substance ID:DTXSID201267160

Synonyms:alpha-[(Formyloxy)methyl]benzenepropanenitrile;104876-36-0;SCHEMBL7525598;DTXSID201267160

Suppliers and Price of alpha-[(Formyloxy)methyl]benzenepropanenitrile

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of alpha-[(Formyloxy)methyl]benzenepropanenitrile

Chemical Property:

XLogP3:1.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:189.078978594
Heavy Atom Count:14
Complexity:213

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of alpha-[(Formyloxy)methyl]benzenepropanenitrile

There total 3 articles about alpha-[(Formyloxy)methyl]benzenepropanenitrile 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: 75.0%

: 104876-32-6
L-(-)-2-isocyano-3-phenylpropyl formate

: 1197-33-7
2-methyl-3-phenyl-acrylonitrile

: 104876-36-0
L-(+)-2-cyano-3-phenylpropyl formate

Guidance literature:: at 520 - 550 ℃; under 0.01 Torr;

Reference yield:

: 3182-95-4
L-phenylalaninol

: 104876-36-0
L-(+)-2-cyano-3-phenylpropyl formate

Guidance literature:: Multi-step reaction with 3 steps

1: 25 percent / acetic anhydride / 2 h / 60 °C

2: 70 percent / POCl₃, diisopropylamine / CH₂Cl₂

3: 74 percent / 1.5 h / 540 °C / 0.01 Torr

With acetic anhydride; diisopropylamine; trichlorophosphate; In dichloromethane;

Reference yield:

: 69231-11-4
L-(-)-2-formamido-3-phenylpropyl formate

: 104876-36-0
L-(+)-2-cyano-3-phenylpropyl formate

Guidance literature:: Multi-step reaction with 2 steps

1: 70 percent / POCl₃, diisopropylamine / CH₂Cl₂

2: 74 percent / 1.5 h / 540 °C / 0.01 Torr

With diisopropylamine; trichlorophosphate; In dichloromethane;