4-(1-Cyano-2-ethoxy-2-oxoethyl)-4-phenyl-1-piperidinecarboxylic acid tert-butyl ester

Base Information

Chemical Name:4-(1-Cyano-2-ethoxy-2-oxoethyl)-4-phenyl-1-piperidinecarboxylic acid tert-butyl ester
CAS No.:644982-19-4
Molecular Formula:C21H28N2O4
Molecular Weight:372.464
Hs Code.:
DSSTox Substance ID:DTXSID60469654

Synonyms:644982-19-4;4-(1-cyano-2-ethoxy-2-oxoethyl)-4-phenyl-1-piperidinecarboxylic acid tert-butyl ester;SCHEMBL4407528;DTXSID60469654;A834783;tert-butyl 4-(1-cyano-2-ethoxy-2-oxidanylidene-ethyl)-4-phenyl-piperidine-1-carboxylate;TERT-BUTYL 4-(1-CYANO-2-ETHOXY-2-OXOETHYL)-4-PHENYLPIPERIDINE-1-CARBOXYLATE

Suppliers and Price of 4-(1-Cyano-2-ethoxy-2-oxoethyl)-4-phenyl-1-piperidinecarboxylic acid tert-butyl ester

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-(1-Cyano-2-ethoxy-2-oxoethyl)-4-phenyl-1-piperidinecarboxylic acid tert-butyl ester

Chemical Property:

XLogP3:3.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:372.20490738
Heavy Atom Count:27
Complexity:573

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C(C#N)C1(CCN(CC1)C(=O)OC(C)(C)C)C2=CC=CC=C2

Technology Process of 4-(1-Cyano-2-ethoxy-2-oxoethyl)-4-phenyl-1-piperidinecarboxylic acid tert-butyl ester

There total 5 articles about 4-(1-Cyano-2-ethoxy-2-oxoethyl)-4-phenyl-1-piperidinecarboxylic acid tert-butyl ester 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:

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

: 100-58-3
phenylmagnesium bromide

: 644982-19-4
4-(1-cyano-1-ethoxycarbonyl-methyl)-4-phenyl-piperidine-1-carboxylic acid tert-butyl ester

Guidance literature:: tert-butyl 4-(1-cyano-2-ethoxy-2-oxoethylidene)-4-piperidine-1-carboxylate; phenylmagnesium bromide; copper(l) iodide; In tetrahydrofuran; at 0 - 23 ℃; for 0.666667h;

With hydrogenchloride; In tetrahydrofuran; water; at 0 ℃; pH=5;

Reference yield:

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

: 108-86-1,52753-63-6
bromobenzene

: 644982-19-4
4-(1-cyano-1-ethoxycarbonyl-methyl)-4-phenyl-piperidine-1-carboxylic acid tert-butyl ester

Guidance literature:: bromobenzene; With magnesium; In tetrahydrofuran; at 20 ℃;

tert-butyl 4-(1-cyano-2-ethoxy-2-oxoethylidene)-4-piperidine-1-carboxylate; With copper(l) iodide; In tetrahydrofuran; at 0 - 20 ℃;
DOI:10.1080/00397910500374971

Reference yield:

: 79099-07-3
N-tert-butyloxycarbonylpiperidin-4-one

: 644982-19-4
4-(1-cyano-1-ethoxycarbonyl-methyl)-4-phenyl-piperidine-1-carboxylic acid tert-butyl ester

Guidance literature:: Multi-step reaction with 2 steps

1.1: 100 percent / NH₄OAc; AcOH; benzene

2.1: magnesium / tetrahydrofuran / 20 °C

2.2: copper(I) iodide / tetrahydrofuran / 0 - 20 °C

With ammonium acetate; magnesium; acetic acid; benzene; In tetrahydrofuran; 2.2: Grignard addition;
DOI:10.1080/00397910500374971