Ethyl 4-cyano-4-(phenylamino)piperidine-1-carboxylate

Base Information

Chemical Name:Ethyl 4-cyano-4-(phenylamino)piperidine-1-carboxylate
CAS No.:84145-25-5
Molecular Formula:C₁₅H₁₉N₃O₂
Molecular Weight:273.335
Hs Code.:
European Community (EC) Number:282-250-2
DSSTox Substance ID:DTXSID80233051
Nikkaji Number:J333.023K
Wikidata:Q83114369
Mol file:84145-25-5.mol

Synonyms:84145-25-5;EINECS 282-250-2;Ethyl 4-cyano-4-(phenylamino)piperidine-1-carboxylate;DTXSID80233051;AKOS005216087;4-Cyano-4-(phenylamino)-1-piperidinecarboxylic acid ethyl ester

Suppliers and Price of Ethyl 4-cyano-4-(phenylamino)piperidine-1-carboxylate

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
Packaging
price

Total 3 raw suppliers

Chemical Property of Ethyl 4-cyano-4-(phenylamino)piperidine-1-carboxylate

Chemical Property:

Vapor Pressure:1.31E-08mmHg at 25°C
Boiling Point:459°C at 760 mmHg
Flash Point:231.4°C
PSA：65.36000
Density:1.18g/cm³
LogP:2.62408
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:273.147726857
Heavy Atom Count:20
Complexity:374

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)N1CCC(CC1)(C#N)NC2=CC=CC=C2

Technology Process of Ethyl 4-cyano-4-(phenylamino)piperidine-1-carboxylate

There total 3 articles about Ethyl 4-cyano-4-(phenylamino)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: 33.0%

: 240486-10-6
ethyl 4-(2-bromophenylamino)-4-cyano-1-piperidinecarboxylate

: 84145-25-5
4-cyano-4-phenylamino-piperidine-1-carboxylic acid ethyl ester

: 4-(2-cyano-phenylamino)-piperidine-1-carboxylic acid ethyl ester

: 240486-16-2
ethyl 1,3-dihydro-3-imino-spiro[2H-indole-2,4'-piperidine]-1'-carboxylate

Guidance literature:: With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride; In toluene; for 1h; Heating;
DOI:10.1021/jo970105t

Reference yield:

: 29976-53-2
N-ethoxycarbonyl-4-piperidone

: 84145-25-5
4-cyano-4-phenylamino-piperidine-1-carboxylic acid ethyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: 94 percent / acetic acid / 112 h / 20 °C

2: AIBN; tributyltin hydride / toluene / 1 h / Heating

With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride; In acetic acid; toluene; 1: Condensation / 2: Cyclization;
DOI:10.1021/jo970105t

Reference yield:

: 615-36-1
2-bromoaniline

: 84145-25-5
4-cyano-4-phenylamino-piperidine-1-carboxylic acid ethyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: 94 percent / acetic acid / 112 h / 20 °C

2: AIBN; tributyltin hydride / toluene / 1 h / Heating

With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride; In acetic acid; toluene; 1: Condensation / 2: Cyclization;
DOI:10.1021/jo970105t