2-methylsulfanylpyrimidine-4,5,6-triamine

Base Information

• Chemical Name: 2-methylsulfanylpyrimidine-4,5,6-triamine
• CAS No.: 1431-40-9
• Molecular Formula: C5H9 N5 S
• Molecular Weight: 171.2235
• Hs Code.: 2933599090
• Mol file: 1431-40-9.mol

Synonyms:Pyrimidine, 4,5,6-triamino-2-(methylthio)-(6CI,7CI,8CI); 2-(Methylthio)-4,5,6-pyrimidinetriamine;4,5,6-Triamino-2-(methylthio)pyrimidine;NSC 119987

Chemical Property of 2-methylsulfanylpyrimidine-4,5,6-triamine

Chemical Property:

• Vapor Pressure: 2.47E-08mmHg at 25°C
• Boiling Point: 451.3°Cat760mmHg
• Flash Point: 226.7°C
• PSA: 129.14000
• Density: 1.47g/cm³
• LogP: 1.68870
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature

Purity/Quality:

99% ^*data from raw suppliers

2-(Methylthio)pyrimidine-4,5,6-triamine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-methylsulfanylpyrimidine-4,5,6-triamine

There total 4 articles about 2-methylsulfanylpyrimidine-4,5,6-triamine 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:

2-(methylthio)-5-nitrosopyrimidine-4,6-diamine (52222-43-2) → 2-methylsulfanyl-pyrimidine-4,5,6-triamine (1431-40-9)

Guidance literature:

With sodium dithionite;

DOI:10.1021/ja01127a009

Reference yield:

4,6-diamino-2-methylthiopyrimidine (1005-39-6) → 2-methylsulfanyl-pyrimidine-4,5,6-triamine (1431-40-9)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous acetic acid; NaNO₂

2: aqueous NH₄HS

With ammonium sulfide; acetic acid; sodium nitrite;

Reference yield:

4-amino-6-chloro-2-methylthiopyrimidine (1005-38-5) → 2-methylsulfanyl-pyrimidine-4,5,6-triamine (1431-40-9)

Guidance literature:

Multi-step reaction with 3 steps

1: ammonia / methanol / 168 h / 120 °C

2: sodium nitrite; acetic acid / water / 26 h / 20 - 50 °C

3: sodium sulfate / water; methanol / 50 - 70 °C

With ammonia; acetic acid; sodium sulfate; sodium nitrite; In methanol; water;

DOI:10.1021/jm501434y

upstream raw materials:

2-(methylthio)-5-nitrosopyrimidine-4,6-diamine

4,6-diamino-2-methylthiopyrimidine

4-amino-6-chloro-2-methylthiopyrimidine

Downstream raw materials:

2-(methylthio)-7H-purin-6-amine

C₂₂H₂₁N₅O₃S

C₂₂H₁₈F₃N₅O₂S

C₂₁H₁₉N₅O₂S

Refernces

• 1、 Chang, Lei,Lee, Sang-Yong,Leonczak, Piotr,Rozenski, Jef,De Jonghe, Steven,Hanck, Theodor,Müller, Christa E.,Herdewijn, Piet. "Imidazopyridine- and purine-thioacetamide derivatives: Potent inhibitors of nucleotide pyrophosphatase/phosphodiesterase 1 (NPP1)". . p. 10080 - 10100. Retrieved 2015/02/05.
• 2、 -. "Novel cephalosporin compounds and processes for the preparation thereof". . . Retrieved 2008/06/13.