2-Amino-5-methylnicotinonitrile

Base Information

• Chemical Name: 2-Amino-5-methylnicotinonitrile
• CAS No.: 38076-78-7
• Molecular Formula: C₇H₇N₃
• Molecular Weight: 133.153
• Hs Code.: 2933399090
• European Community (EC) Number: 959-936-1
• DSSTox Substance ID: DTXSID10517311
• Wikidata: Q82379245
• Mol file: 38076-78-7.mol

Synonyms:2-Amino-5-methylnicotinonitrile;38076-78-7;2-Amino-3-cyano-5-picoline;2-amino-5-methylpyridine-3-carbonitrile;2-Amino-5-methyl-nicotinonitrile;MFCD07779068;SCHEMBL625135;DTXSID10517311;OOKFORLRLLVDOD-UHFFFAOYSA-N;AMY14033;AKOS011946076;AS-5499;SB36943;AC-28216;SY102793;FT-0657088;C74945;EN300-243306;A824003;Z994267658;2-amino-5-methyl-pyridine-3-carbonitrile

Chemical Property of 2-Amino-5-methylnicotinonitrile

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Refractive Index: 1.579
• Boiling Point: 310.56 °C at 760 mmHg
• Flash Point: 141.622 °C
• PSA: 62.70000
• Density: 1.184g/cm³
• LogP: 1.42508
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 133.063997236
• Heavy Atom Count: 10
• Complexity: 158

Purity/Quality:

98%min ^*data from raw suppliers

2-Amino-5-methylnicotinonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=C(N=C1)N)C#N

Technology Process of 2-Amino-5-methylnicotinonitrile

There total 13 articles about 2-Amino-5-methylnicotinonitrile 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: 88.0%

potassiumhexacyanoferrate(II) trihydrate + 3-bromo-5-methylpyridin-2-amine (17282-00-7) → 2-amino-5-methyl-3-pyridine carbonitrile (38076-78-7)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; 1,8-diazabicyclo[5.4.0]undec-7-ene; In water; tert-butyl alcohol; at 85 ℃; for 16h; Inert atmosphere;

DOI:10.1039/c2cc17468e

Reference yield: 70.0%

2-amino-3-cyano-5-methylpyridine 1-oxide (85147-09-7) → 2-amino-5-methyl-3-pyridine carbonitrile (38076-78-7)

Guidance literature:

With phosphorus trichloride; In tetrahydrofuran; for 0.666667h; Ambient temperature;

Reference yield: 60.0%

2-cyano-4-methyl-5-piperidino-1,3-pentadienylnitrile (85147-08-6) → 2-amino-5-methyl-3-pyridine carbonitrile (38076-78-7)

Guidance literature:

With ammonium hydroxide; In ethanol; for 40h; Ambient temperature;

upstream raw materials:

methanol

4-amino-1,1-dicyano-3-methyl-1,3-butadiene

1,1-dicyano-4-ethoxy-3-methyl-1,3-butadiene

3-aminomethacrylaldehyde

Refernces

• 1、 Vallerini, Gian Paolo,Amori, Laura,Beato, Claudia,Tararina, Margarita,Wang, Xiao-Dan,Schwarcz, Robert,Costantino, Gabriele. "2-Aminonicotinic acid 1-oxides are chemically stable inhibitors of quinolinic acid synthesis in the mammalian brain: A step toward new antiexcitotoxic agents". . p. 9482 - 9495. Retrieved 2014/01/06.
• 2、 Dunn,Norrie. "The reaction of some brominated aminopicolines with acetic anhydride and with copper(I) cyanide". . p. 663 - 666. Retrieved 2007/10/03.