2-Propenoic acid, 2-cyano-3-methoxy-3-phenyl-, methyl ester, (E)-

Base Information Edit

Chemical Name:2-Propenoic acid, 2-cyano-3-methoxy-3-phenyl-, methyl ester, (E)-
CAS No.:14533-93-8
Molecular Formula:C₁₂H₁₁NO₃
Molecular Weight:217.224
Hs Code.:
DSSTox Substance ID:DTXSID701168719
Mol file:14533-93-8.mol

Synonyms:DTXSID701168719;2-Propenoic acid, 2-cyano-3-methoxy-3-phenyl-, methyl ester, (E)-;14533-93-8

Suppliers and Price of 2-Propenoic acid, 2-cyano-3-methoxy-3-phenyl-, methyl ester, (E)-

Supply Marketing:Edit

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

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Chemical Property of 2-Propenoic acid, 2-cyano-3-methoxy-3-phenyl-, methyl ester, (E)- Edit

Chemical Property:

XLogP3:1.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:217.07389321
Heavy Atom Count:16
Complexity:331

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC(=C(C#N)C(=O)OC)C1=CC=CC=C1
Isomeric SMILES:CO/C(=C(\C#N)/C(=O)OC)/C1=CC=CC=C1

Technology Process of 2-Propenoic acid, 2-cyano-3-methoxy-3-phenyl-, methyl ester, (E)-

There total 2 articles about 2-Propenoic acid, 2-cyano-3-methoxy-3-phenyl-, methyl ester, (E)- 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: 52.0%

: 186581-53-3,908094-01-9,334-88-3
diazomethane

: 3239-71-2
Methyl 2-Cyano-3-oxo-3-phenylpropanoate

: 14533-94-9
Z-Methyl 2-Cyano-3-methoxy-3-phenylpropenoate

: 14533-93-8
Methyl (E)-2-cyano-3-methoxy-3-phenylpropenoate

Guidance literature:: In diethyl ether; at 0 ℃; for 1h; Title compound not separated from byproducts;

Reference yield:

: 98-88-4
benzoyl chloride

: 14533-93-8
Methyl (E)-2-cyano-3-methoxy-3-phenylpropenoate

Guidance literature:: Multi-step reaction with 2 steps

1: 1) Na / 1) ether, methanol room temperature, 1 d; 2) reflux, 3 h;

2: 52 percent / diethyl ether / 1 h / 0 °C

With sodium; In diethyl ether;