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

Base Information

Chemical Name:Tert-butyl 4-(cyanomethyl)-4-(4-methoxyphenyl)piperidine-1-carboxylate
CAS No.:878130-38-2
Molecular Formula:C19H26N2O3
Molecular Weight:330.42100
Hs Code.:2933399090
DSSTox Substance ID:DTXSID30469646
Wikidata:Q82297461
Mol file:878130-38-2.mol

Synonyms:Tert-butyl 4-(cyanomethyl)-4-(4-methoxyphenyl)piperidine-1-carboxylate;878130-38-2;DTXSID30469646;Tert-butyl4-(cyanomethyl)-4-(4-methoxyphenyl)piperidine-1-carboxylate

Suppliers and Price of Tert-butyl 4-(cyanomethyl)-4-(4-methoxyphenyl)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

Crysdot
tert-Butyl4-(cyanomethyl)-4-(4-methoxyphenyl)piperidine-1-carboxylate 95+%
1g
$ 668.00

Chemenu
tert-butyl4-(cyanomethyl)-4-(4-methoxyphenyl)piperidine-1-carboxylate 95%
1g
$ 632.00

Total 7 raw suppliers

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

Chemical Property:

PSA：62.56000
LogP:3.81548
Storage Temp.:2-8°C
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:473

Purity/Quality:

98% ^*data from raw suppliers

tert-Butyl4-(cyanomethyl)-4-(4-methoxyphenyl)piperidine-1-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

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

There total 3 articles about Tert-butyl 4-(cyanomethyl)-4-(4-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:

: 917220-80-5
4-(carboxy-cyano-methyl)-4-(4-methoxy-phenyl)-piperidine-1-carboxylic acid tert-butyl ester

: 878130-38-2
4-cyanomethyl-4-(4-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:

: 104-92-7
1-bromo-4-methoxy-benzene

: 878130-38-2
4-cyanomethyl-4-(4-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: 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:

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

: 878130-38-2
4-cyanomethyl-4-(4-methoxy-phenyl)-piperidine-1-carboxylic acid tert-butyl ester

Guidance literature:: Multi-step reaction with 4 steps

1.1: 100 percent / NH₄OAc; AcOH; benzene

2.1: magnesium / tetrahydrofuran / 20 °C

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

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

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

With copper(I) oxide; sodium hydroxide; ammonium acetate; magnesium; acetic acid; benzene; In tetrahydrofuran; ethanol; water; acetonitrile; 2.2: Grignard addition;
DOI:10.1080/00397910500374971