Methyl (3-{4-[cyano(2-methyl-3-pyridinyl)methyl]-1-piperazinyl}-3-oxo-1-phenylpropyl)carbamate

Base Information

Chemical Name:Methyl (3-{4-[cyano(2-methyl-3-pyridinyl)methyl]-1-piperazinyl}-3-oxo-1-phenylpropyl)carbamate
CAS No.:149692-09-1
Molecular Formula:C₂₃H₂₇N₅O₃
Molecular Weight:421.499
Hs Code.:
DSSTox Substance ID:DTXSID00933703
Nikkaji Number:J573.767B
ChEMBL ID:CHEMBL418792
Mol file:149692-09-1.mol

Synonyms:1-(3-(N-(methoxycarbonyl)amino)-3-phenylpropanoyl)-4-((2-methyl-3-pyridyl)cyanomethyl)piperazine;MPMPCP

Suppliers and Price of Methyl (3-{4-[cyano(2-methyl-3-pyridinyl)methyl]-1-piperazinyl}-3-oxo-1-phenylpropyl)carbamate

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 2 raw suppliers

Chemical Property of Methyl (3-{4-[cyano(2-methyl-3-pyridinyl)methyl]-1-piperazinyl}-3-oxo-1-phenylpropyl)carbamate

Chemical Property:

Vapor Pressure:1.86E-16mmHg at 25°C
Boiling Point:643.6°Cat760mmHg
Flash Point:343°C
PSA：102.05000
Density:1.234g/cm³
LogP:2.66648
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:421.21138974
Heavy Atom Count:31
Complexity:649

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=C(C=CC=N1)C(C#N)N2CCN(CC2)C(=O)CC(C3=CC=CC=C3)NC(=O)OC

Technology Process of Methyl (3-{4-[cyano(2-methyl-3-pyridinyl)methyl]-1-piperazinyl}-3-oxo-1-phenylpropyl)carbamate

There total 10 articles about Methyl (3-{4-[cyano(2-methyl-3-pyridinyl)methyl]-1-piperazinyl}-3-oxo-1-phenylpropyl)carbamate 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: 68.0%

: 79-22-1
methyl chloroformate

: 149691-83-8
1-(3-amino-3-phenylpropionyl)-4-[(2-methyl-pyridin-3-yl)cyanomethyl]piperazine

: 149692-09-1
UR 12519

Guidance literature:: With triethylamine; In dichloromethane; for 12h; Ambient temperature;
DOI:10.1021/jm00072a019

Reference yield: 55.0%

: 149692-09-1
UR 12519

Guidance literature:

Reference yield:

: 14676-01-8
3-(tert-butoxycarbonylamino)-3-phenylpropanoic acid

: 149692-09-1
UR 12519

Guidance literature:: Multi-step reaction with 3 steps

1: 86 percent / HOBT, DCC / dimethylformamide / 18 h / Ambient temperature

2: 98 percent / 6.5 N aq. HCl / CHCl₃; dioxane / 1 h / Ambient temperature

3: 68 percent / Et₃N / CH₂Cl₂ / 12 h / Ambient temperature

With hydrogenchloride; benzotriazol-1-ol; triethylamine; dicyclohexyl-carbodiimide; In 1,4-dioxane; dichloromethane; chloroform; N,N-dimethyl-formamide;
DOI:10.1021/jm00072a019