(4-(Methylamino)-2-(methylthio)pyrimidin-5-yl)methanol

Base Information

• Chemical Name: (4-(Methylamino)-2-(methylthio)pyrimidin-5-yl)methanol
• CAS No.: 17759-30-7
• Molecular Formula: C7H11N3OS
• Molecular Weight: 185.24700
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID90443366
• Wikidata: Q82261129
• Mol file: 17759-30-7.mol

Synonyms:(4-(Methylamino)-2-(methylthio)pyrimidin-5-yl)methanol;17759-30-7;4-(METHYLAMINO)-2-(METHYLTHIO)PYRIMIDINE-5-METHANOL;[4-(methylamino)-2-methylsulfanylpyrimidin-5-yl]methanol;4-methylamino-2-methylsulfanyl-5-pyrimidinemethanol;SCHEMBL1521589;DTXSID90443366;TQP0620;[4-(methylamino)-2-(methylsulfanyl)pyrimidin-5-yl]methanol;MFCD16293863;AKOS016001943;DS-2253;SB57623;PD129741;CS-0018973;FT-0671469;4-methylamino-2-methylthiopyrimidine-5-methanol;A881455;4-Methylamino-2-methylsulfanyl-5-pyrimidine-methanol;J-011296;(4-methylamino-2-methylsulfanyl-pyrimidin-5-yl)-methanol;Z1255448271;(4-(Methylamino)-2-(methylthio)-pyrimidin-5-yl)methanol

Chemical Property of (4-(Methylamino)-2-(methylthio)pyrimidin-5-yl)methanol

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 398.921oC at 760 mmHg
• Flash Point: 195.061oC
• PSA: 86.57000
• Density: 1.289g/cm3
• LogP: 0.15440
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Solubility.: Chloroform, Dichloromethane, DMSO, Methanol
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 185.06228316
• Heavy Atom Count: 12
• Complexity: 136

Purity/Quality:

97% ^*data from raw suppliers

4-(Methylamino)-2-(methylthio)pyrimidine-5-methanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC1=NC(=NC=C1CO)SC
• Uses: An intermediate in the preparation of antitumor agents and tyrosine kinase inhibitors

Technology Process of (4-(Methylamino)-2-(methylthio)pyrimidin-5-yl)methanol

There total 4 articles about (4-(Methylamino)-2-(methylthio)pyrimidin-5-yl)methanol 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: 95.0%

4-methylamino-2-methylsulfanyl-pyrimidine-5-carboxylic acid ethyl ester (76360-82-2) → (4-methylamino-2-methylsulfanyl-pyrimidin-5-yl)-methanol (17759-30-7)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 20 ℃; for 0.5h; Inert atmosphere;

Reference yield: 93.0%

→ (4-methylamino-2-methylsulfanyl-pyrimidin-5-yl)-methanol (17759-30-7)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at -20 - 20 ℃; for 5h; Inert atmosphere;

Reference yield:

4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester (5909-24-0) → (4-methylamino-2-methylsulfanyl-pyrimidin-5-yl)-methanol (17759-30-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 81 percent / Et₃N / tetrahydrofuran; H₂O / 0.5 h / 25 °C

2: 84 percent / LiAlH₄ / tetrahydrofuran / 0.17 h / Ambient temperature

With lithium aluminium tetrahydride; triethylamine; In tetrahydrofuran; water;

DOI:10.1021/jm9802259

upstream raw materials:

4-methylamino-2-methylsulfanyl-pyrimidine-5-carboxylic acid ethyl ester

4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester

4-chloro-2-ethylsulfanyl-pyrimidine-5-carboxylic acid ethyl ester

Downstream raw materials:

PD-166285

6-(2,6-dichlorophenyl)-2-hydroxy-8-methyl-8H-pyrido[2,3-d]pyrimidin-7-one

6-(2,6-dichlorophenyl)-8-methyl-2-(methylthio)pyrido[2,3-d]pyrimidin-7(8H)-one

6-(2,6-Dichlorophenyl)-8-methyl-2-methylsulfanyl-8H-pyrido[2,3-d]-pyrimidin-7-ylideneamine