2-Amino-6-isobutyl-4-phenylnicotinonitrile

Base Information

• Chemical Name: 2-Amino-6-isobutyl-4-phenylnicotinonitrile
• CAS No.: 5105-94-2
• Molecular Formula: C₂₁H₃₀N₂O₇
• Molecular Weight: 422.478
• DSSTox Substance ID: DTXSID90349899
• Nikkaji Number: J2.915.136I
• Wikidata: Q82125449
• Mol file: 5105-94-2.mol

Synonyms:2-Amino-6-isobutyl-4-phenylnicotinonitrile;2-amino-6-(2-methylpropyl)-4-phenylpyridine-3-carbonitrile;74873-32-8;5105-94-2;CBMicro_004720;ChemDiv2_003383;Cambridge id 5105942;Oprea1_513199;DTXSID90349899;HMS1378J17;SMSF0003267;STK831930;AKOS001584824;CB07023;CCG-103197;BIM-0004754.P001;EN300-794509;SR-01000389569;SR-01000389569-1;Z277557478

Chemical Property of 2-Amino-6-isobutyl-4-phenylnicotinonitrile

Chemical Property:

• Vapor Pressure: 1.43E-07mmHg at 25°C
• Boiling Point: 429.2°C at 760 mmHg
• Flash Point: 213.4°C
• PSA: 63.43000
• Density: 1.13g/cm³
• LogP: 3.33108
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 251.142247555
• Heavy Atom Count: 19
• Complexity: 324

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)CC1=CC(=C(C(=N1)N)C#N)C2=CC=CC=C2

Technology Process of 2-Amino-6-isobutyl-4-phenylnicotinonitrile

There total 2 articles about 2-Amino-6-isobutyl-4-phenylnicotinonitrile 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:

4-(((benzyloxy)carbonyl)amino)butyric acid tert-butyl ester (5105-79-3) → N-(Benzyloxycarbonyl-α-L-glutamyl)-γ-aminobuttersaeure-tert.-butylester (5105-94-2)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂ / Pd-C / ethanol

2: tetrahydrofuran

With hydrogen; palladium on activated charcoal; In tetrahydrofuran; ethanol;

DOI:10.1039/jr9650007305

Reference yield:

tert-butyl 4-aminobutanoate (50479-22-6) + N-(benzyloxycarbonyl)-L-glutamic acid, α-phenyl ester (25126-07-2) → N-(Benzyloxycarbonyl-α-L-glutamyl)-γ-aminobuttersaeure-tert.-butylester (5105-94-2)

Guidance literature:

In tetrahydrofuran;

DOI:10.1039/jr9650007305

Reference yield:

N-(Benzyloxycarbonyl-α-L-glutamyl)-γ-aminobuttersaeure-tert.-butylester (5105-94-2) → N-Benzyloxycarbonyl-α-L-glutamyl-γ-aminobuttersaeure (5105-95-3)

Guidance literature:

With toluene-4-sulfonic acid; In benzene;

DOI:10.1039/jr9650007305

upstream raw materials:

tert-butyl 4-aminobutanoate

N-(benzyloxycarbonyl)-L-glutamic acid, α-phenyl ester

4-(((benzyloxy)carbonyl)amino)butyric acid tert-butyl ester

Downstream raw materials:

N-Benzyloxycarbonyl-α-L-glutamyl-γ-aminobuttersaeure

α-L-Glutamyl-γ-aminobuttersaeure

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