Tert-butyl 4-(cyanomethyl)-4-(3-methoxyphenyl)piperidine-1-carboxylate

Base Information

Chemical Name:Tert-butyl 4-(cyanomethyl)-4-(3-methoxyphenyl)piperidine-1-carboxylate
CAS No.:716361-92-1
Molecular Formula:C19H26N2O3
Molecular Weight:330.427
Hs Code.:
DSSTox Substance ID:DTXSID601139373

Synonyms:716361-92-1;SCHEMBL3530188;DTXSID601139373;FT-0730078;1,1-Dimethylethyl 4-(cyanomethyl)-4-(3-methoxyphenyl)-1-piperidinecarboxylate

Suppliers and Price of Tert-butyl 4-(cyanomethyl)-4-(3-methoxyphenyl)piperidine-1-carboxylate

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

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Chemical Property of Tert-butyl 4-(cyanomethyl)-4-(3-methoxyphenyl)piperidine-1-carboxylate

Chemical Property:

XLogP3:3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:330.19434270
Heavy Atom Count:24
Complexity:481

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)(C)OC(=O)N1CCC(CC1)(CC#N)C2=CC(=CC=C2)OC

Technology Process of Tert-butyl 4-(cyanomethyl)-4-(3-methoxyphenyl)piperidine-1-carboxylate

There total 5 articles about Tert-butyl 4-(cyanomethyl)-4-(3-methoxyphenyl)piperidine-1-carboxylate 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:

: 917220-95-2
4-(carboxy-cyano-methyl)-4-(3-methoxy-phenyl)-piperidine-1-carboxylic acid tert-butyl ester

: 716361-92-1
4-cyanomethyl-4-(3-methoxy-phenyl)-piperidine-1-carboxylic acid tert-butyl ester

Guidance literature:: With copper(I) oxide; In acetonitrile; for 0.5h; Heating;
DOI:10.1080/00397910500374971

Reference yield:

: 193537-11-0
tert-butyl 4-(1-cyano-2-ethoxy-2-oxoethylidene)-4-piperidine-1-carboxylate

: 716361-92-1
4-cyanomethyl-4-(3-methoxy-phenyl)-piperidine-1-carboxylic acid tert-butyl ester

Guidance literature:: Multi-step reaction with 3 steps

1.1: magnesium / tetrahydrofuran / 20 °C

1.2: 77 percent / copper(I) iodide / tetrahydrofuran / 0 - 20 °C

2.1: sodium hydroxide / ethanol; H₂O / 6.5 h / 20 °C

3.1: copper(I) oxide / acetonitrile / 0.5 h / Heating

With copper(I) oxide; sodium hydroxide; magnesium; In tetrahydrofuran; ethanol; water; acetonitrile; 1.2: Grignard addition;
DOI:10.1080/00397910500374971

Reference yield:

: 878130-32-6
4-(cyano-ethoxycarbonyl-methyl)-4-(3-methoxy-phenyl)-piperidine-1-carboxylic acid tert-butyl ester

: 716361-92-1
4-cyanomethyl-4-(3-methoxy-phenyl)-piperidine-1-carboxylic acid tert-butyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: sodium hydroxide / ethanol; H₂O / 6.5 h / 20 °C

2: copper(I) oxide / acetonitrile / 0.5 h / Heating

With copper(I) oxide; sodium hydroxide; In ethanol; water; acetonitrile;
DOI:10.1080/00397910500374971