Ethyl 4-cyano-4-(3,4-dimethoxyphenyl)-1-piperidineacetate

Base Information

Chemical Name:Ethyl 4-cyano-4-(3,4-dimethoxyphenyl)-1-piperidineacetate
CAS No.:401518-15-8
Molecular Formula:C₁₈H₂₄N₂O₄
Molecular Weight:332.4
Hs Code.:
DSSTox Substance ID:DTXSID501195405

Synonyms:SCHEMBL3173953;DTXSID501195405;Ethyl 4-cyano-4-(3,4-dimethoxyphenyl)-1-piperidineacetate;401518-15-8

Suppliers and Price of Ethyl 4-cyano-4-(3,4-dimethoxyphenyl)-1-piperidineacetate

Supply Marketing:

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

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Chemical Property of Ethyl 4-cyano-4-(3,4-dimethoxyphenyl)-1-piperidineacetate

Chemical Property:

XLogP3:2.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:332.17360725
Heavy Atom Count:24
Complexity:465

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCOC(=O)CN1CCC(CC1)(C#N)C2=CC(=C(C=C2)OC)OC

Technology Process of Ethyl 4-cyano-4-(3,4-dimethoxyphenyl)-1-piperidineacetate

There total 5 articles about Ethyl 4-cyano-4-(3,4-dimethoxyphenyl)-1-piperidineacetate 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%

: 105-36-2
ethyl bromoacetate

: 4-(3,4-dimethoxyphenyl)piperidine-4-carbonitrile hydrochloride

: 401518-15-8
ethyl [4-cyano-4-(3,4-dimethoxyphenyl)piperidin-1-yl]acetate

Guidance literature:: With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 20h;
DOI:10.1016/j.bmc.2004.06.032

Reference yield:

: 666179-93-7
tert-butyl 4-cyano-4-(3,4-dimethoxyphenyl)piperidine-1-carboxylate

: 401518-15-8
ethyl [4-cyano-4-(3,4-dimethoxyphenyl)piperidin-1-yl]acetate

Guidance literature:: Multi-step reaction with 2 steps

1: PhSMe; TFA / CH₂Cl₂ / 1 h / 20 °C

2: 97 percent / K₂CO₃ / dimethylformamide / 20 h / 20 °C

With methyl-phenyl-thioether; potassium carbonate; trifluoroacetic acid; In dichloromethane; N,N-dimethyl-formamide;
DOI:10.1016/j.bmc.2004.06.032

Reference yield:

: 93-17-4
3,4-dimethoxyphenylacetonitrile

: 401518-15-8
ethyl [4-cyano-4-(3,4-dimethoxyphenyl)piperidin-1-yl]acetate

Guidance literature:: Multi-step reaction with 3 steps

1.1: LiHMDS / tetrahydrofuran / -78 °C

2.1: TFA; C₆H₅SCH₃ / CH₂Cl₂

2.2: aq. HCl / ethyl acetate

3.1: K₂CO₃ / dimethylformamide

With methyl-phenyl-thioether; potassium carbonate; trifluoroacetic acid; lithium hexamethyldisilazane; In tetrahydrofuran; dichloromethane; N,N-dimethyl-formamide;
DOI:10.1016/j.bmcl.2003.09.087