6-Methyl-2,4-pyrimidinediamine

Base Information

• Chemical Name: 6-Methyl-2,4-pyrimidinediamine
• CAS No.: 1791-73-7
• Molecular Formula: C5H8 N4
• Molecular Weight: 124.145
• Hs Code.: 2933599090
• NSC Number: 23614
• DSSTox Substance ID: DTXSID10902889
• Nikkaji Number: J80.319G
• Wikidata: Q107890754
• Mol file: 1791-73-7.mol

Synonyms:6-Methyl-2,4-pyrimidinediamine;1791-73-7;6-methylpyrimidine-2,4-diamine;2,4-diamino-6-methylpyrimidine;179-73-7;2,4-Pyrimidinediamine, 6-methyl- (9CI);NSC23614;NoName_3465;SCHEMBL879566;2,4-diamino-6 -methylpyrimidine;amino-2-amino-6-methylpyrimidine;AMY5650;DTXSID10902889;2,4-Diamino-6-methyl pyrimidine;2,4-Pyrimidinediamine, 6-methyl-;MFCD00127861;NSC-23614;AKOS005071879;BD-0732;SB57359;AC-31905;CS-0045605;FT-0680782;EN300-179830;A881273;AB-323/25048181;3-(Dimethylamino)-2-(2-chlorobenzoyl)acrylonitrile;J-011471;J-518929;Z1198150778

Chemical Property of 6-Methyl-2,4-pyrimidinediamine

Chemical Property:

• Vapor Pressure: 2.84E-06mmHg at 25°C
• Melting Point: 183-185 °C
• Boiling Point: 389.5°Cat760mmHg
• PKA: 7.81±0.10(Predicted)
• Flash Point: 217.8°C
• PSA: 77.82000
• Density: 1.283g/cm³
• LogP: 1.11180
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 124.074896272
• Heavy Atom Count: 9
• Complexity: 95

Purity/Quality:

98%,99%, ^*data from raw suppliers

6-Methyl-2,4-pyrimidinediamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=NC(=N1)N)N

Technology Process of 6-Methyl-2,4-pyrimidinediamine

There total 9 articles about 6-Methyl-2,4-pyrimidinediamine 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: 73.0%

guanidine hydrochloride (50-01-1) + 3-hydroxycrotononitrile sodium salt (70807-22-6) → 6-methylpyrimidine-2,4-diamine (1791-73-7)

Guidance literature:

With zinc(II) chloride; In isopropyl alcohol; toluene; at 90 ℃; for 16h; Inert atmosphere;

DOI:10.1021/op300190s

Reference yield:

2-amino-6-methyl-4-chloropyrimidine (5600-21-5) → 6-methylpyrimidine-2,4-diamine (1791-73-7)

Guidance literature:

With ammonia; at 160 ℃;

Reference yield:

3-Aminocrotononitrile (1118-61-2) + guanidine hydrochloride (50-01-1) → 6-methylpyrimidine-2,4-diamine (1791-73-7)

Guidance literature:

With sodium; Yield given. Multistep reaction; 1.) MeOH, 20 deg C, 20 min, 2.) 2-methoxyethanol, reflux, 6 h;

upstream raw materials:

4-Methylpyrimidine

2,4-dichloro-6-methylpyrimidine

2-amino-6-methyl-4-chloropyrimidine

3-Aminocrotononitrile

Downstream raw materials:

6-methylpyrimidine-2,4-diamine 3-oxide

bis(4-hydroxy-2,6-dimethoxyphenyl)methane

6-methyl-2,4-diamino-5-nitropyrimidine

2,4-diamino-5-iodo-6-methylpyrimidine

Refernces

• 1、 Letinois, Ulla,Schuetz, Jan,Haerter, Ralph,Stoll, Rinke,Huffschmidt, Florian,Bonrath, Werner,Karge, Reinhard. "Lewis acid-catalyzed synthesis of 4-aminopyrimidines: A scalable industrial process". supporting information. p. 427 - 431. Retrieved 2013/05/09.
• 2、 -. "5[W(substituted aryl)alkenylene and alkynylene]-2,4-diaminopyrimidines as pesticides". . . Retrieved 2008/06/13.