2-[1-(3-Tert-butoxycarbonylamino-propyl)piperidin-4-yl]benzonitrile

Base Information

Chemical Name:2-[1-(3-Tert-butoxycarbonylamino-propyl)piperidin-4-yl]benzonitrile
CAS No.:256951-74-3
Molecular Formula:C₂₀H₂₉N₃O₂
Molecular Weight:343.469
Hs Code.:
DSSTox Substance ID:DTXSID501128795

Synonyms:SCHEMBL7662199;UAYZWJMIKHZUNT-UHFFFAOYSA-N;DTXSID501128795;2-[1-(3-tert-butoxycarbonylamino-propyl)piperidin-4-yl]benzonitrile;2-[1-(3-tert-butoxycarbonylamino-propyl)piperidin-4-yl] benzonitrile;Carbamic acid, [3-[4-(2-cyanophenyl)-1-piperidinyl]propyl]-, 1,1-dimethylethyl ester;256951-74-3

Suppliers and Price of 2-[1-(3-Tert-butoxycarbonylamino-propyl)piperidin-4-yl]benzonitrile

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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Total 1 raw suppliers

Chemical Property of 2-[1-(3-Tert-butoxycarbonylamino-propyl)piperidin-4-yl]benzonitrile

Chemical Property:

XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:343.22597718
Heavy Atom Count:25
Complexity:469

Purity/Quality:: 98% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)(C)OC(=O)NCCCN1CCC(CC1)C2=CC=CC=C2C#N

Technology Process of 2-[1-(3-Tert-butoxycarbonylamino-propyl)piperidin-4-yl]benzonitrile

There total 11 articles about 2-[1-(3-Tert-butoxycarbonylamino-propyl)piperidin-4-yl]benzonitrile 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: 66.0%

: 83948-53-2
3-bromopropylamine tert-butylcarbamate

: 256951-73-2
2-(piperidin-4-yl)benzonitrile hydrochloride

: 256951-74-3
2-[1-(3-tert-butoxycarbonylaminopropyl)-piperidin-4-yl] benzonitrile

Guidance literature:: With triethylamine; In N,N-dimethyl-formamide; at 20 ℃; for 15h;
DOI:10.1021/jm990612y

Reference yield:

: 802598-33-0
3-bromo-1-tert-butoxycarbonylpropylamine

: 256951-73-2
2-(piperidin-4-yl)benzonitrile hydrochloride

: 256951-74-3
2-[1-(3-tert-butoxycarbonylaminopropyl)-piperidin-4-yl] benzonitrile

Guidance literature:: With triethylamine; In N,N-dimethyl-formamide;

Reference yield:

: 138647-49-1
4-Trifluoromethanesulfonyloxy-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester

: 256951-74-3
2-[1-(3-tert-butoxycarbonylaminopropyl)-piperidin-4-yl] benzonitrile

Guidance literature:: Multi-step reaction with 4 steps

1: 97 percent / Pd(PPh₃)4 / tetrahydrofuran / 0.5 h / 20 °C

2: 91 percent / H₂; AcOH / 10percent Pd/C / ethanol / 15 h / 2585.81 Torr

3: 100 percent / HCl(g) / ethyl acetate / 0.17 h / 0 °C

4: 66 percent / Et₃N / dimethylformamide / 15 h / 20 °C

With hydrogenchloride; tetrakis(triphenylphosphine) palladium⁽⁰⁾; hydrogen; acetic acid; triethylamine; 10percent Pd/C; In tetrahydrofuran; ethanol; ethyl acetate; N,N-dimethyl-formamide; 1: Arylation / 2: Catalytic hydrogenation / 3: Acidolysis / 4: Alkylation;
DOI:10.1021/jm990612y