alpha-Cyano-6-methyl-N-phenylergoline-8-beta-propanamide

Base Information

Chemical Name:alpha-Cyano-6-methyl-N-phenylergoline-8-beta-propanamide
CAS No.:74627-30-8
Molecular Formula:C₂₅H₂₆N₄O
Molecular Weight:398.508
Hs Code.:
DSSTox Substance ID:DTXSID00996131
Mol file:74627-30-8.mol

Synonyms:alpha-Cyano-6-methyl-N-phenylergoline-8-beta-propanamide;74627-30-8;Ergoline-8-propanamide, alpha-cyano-6-methyl-N-phenyl-, (8-beta)-;C25H26N4O;C25-H26-N4-O;DTXSID00996131;LS-64490;2-Cyano-3-(6-methylergolin-8-yl)-N-phenylpropanimidic acid

Suppliers and Price of alpha-Cyano-6-methyl-N-phenylergoline-8-beta-propanamide

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

American Custom Chemicals Corporation
ALPHA-CYANO-6-METHYL-N-PHENYLERGOLINE-8-BETA-PROPANAMIDE 95.00%
5MG
$ 498.96

Total 3 raw suppliers

Chemical Property of alpha-Cyano-6-methyl-N-phenylergoline-8-beta-propanamide

Chemical Property:

Vapor Pressure:1.45E-18mmHg at 25°C
Boiling Point:684.1°C at 760 mmHg
Flash Point:367.5°C
PSA：75.41000
Density:1.248g/cm³
LogP:4.88388
XLogP3:4.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:398.21066147
Heavy Atom Count:30
Complexity:680

Purity/Quality:

99% ^*data from raw suppliers

ALPHA-CYANO-6-METHYL-N-PHENYLERGOLINE-8-BETA-PROPANAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1CC(CC2C1CC3=CNC4=CC=CC2=C34)CC(C#N)C(=O)NC5=CC=CC=C5
Isomeric SMILES:CN1C[C@@H](CC2[C@H]1CC3=CNC4=CC=CC2=C34)CC(C#N)C(=O)NC5=CC=CC=C5

Technology Process of alpha-Cyano-6-methyl-N-phenylergoline-8-beta-propanamide

There total 4 articles about alpha-Cyano-6-methyl-N-phenylergoline-8-beta-propanamide 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: 40.0%

: 62-53-3
aniline

: 2-cyano-3-(6-methylergolin-8β-yl)-propionic acid

: 74627-30-8
2(R,S)-cyano-3-(6-methylergolin-8β-yl)-N-phenylpropionamide

Guidance literature:: With diphenyl phosphoryl azide; triethylamine; In N,N-dimethyl-formamide; 1.) - 5 deg C, 3 h; 2.) room temperature;

Reference yield:

: 58752-31-1
6-methyl-8β-tosyloxymethyl-ergoline

: 74627-30-8
2(R,S)-cyano-3-(6-methylergolin-8β-yl)-N-phenylpropionamide

Guidance literature:: Multi-step reaction with 2 steps

1: 70 percent / KI, ethyl cyanoacetate / dimethylsulfoxide / 5 h / 70 °C

With ethyl 2-cyanoacetate; potassium iodide; In dimethyl sulfoxide;

Reference yield:

: 74627-28-4
2(R,S)-cyano-3-(6-methylergolin-8β-yl)-propionic acid ethyl ester

: 74627-30-8
2(R,S)-cyano-3-(6-methylergolin-8β-yl)-N-phenylpropionamide

Guidance literature:: Multi-step reaction with 2 steps

1: KOH / methanol; H₂O

2: 40 percent / phosphoric acid diphenyl ester azide, triethylamine / dimethylformamide / 1.) - 5 deg C, 3 h; 2.) room temperature

With potassium hydroxide; diphenyl phosphoryl azide; triethylamine; In methanol; water; N,N-dimethyl-formamide;