4-(Methylamino)-2-(methylthio)pyrimidine-5-carbaldehyde

Base Information

• Chemical Name: 4-(Methylamino)-2-(methylthio)pyrimidine-5-carbaldehyde
• CAS No.: 185040-32-8
• Molecular Formula: C7H9N3OS
• Molecular Weight: 183.234
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID20442382
• Nikkaji Number: J2.304.573G
• Wikidata: Q82259627
• Mol file: 185040-32-8.mol

Synonyms:185040-32-8;4-(methylamino)-2-(methylthio)pyrimidine-5-carbaldehyde;4-methylamino-2-methylsulfanyl-pyrimidine-5-carbaldehyde;4-(methylamino)-2-methylsulfanylpyrimidine-5-carbaldehyde;4-(METHYLAMINO)-2-(METHYLTHIO)PYRIMIDINE-5-CARBOXALDEHYDE;4-(methylamino)-2-(methylsulfanyl)pyrimidine-5-carbaldehyde;5-PYRIMIDINECARBOXALDEHYDE, 4-(METHYLAMINO)-2-(METHYLTHIO)-;MFCD04115117;4-(methylamino)-2-(methylthio)-pyrimidine-5-carbaldehyde;4-(METHYLAMINO)-2-(METHYLSULFANYL)-5-PYRIMIDINECARBALDEHYDE;-carboxaldehyde;SCHEMBL1521592;4-methylamino-2-methanesulfanyl-pyrimidine-5-carboxaldehyde;DTXSID20442382;WGUCZWYLSKPURM-UHFFFAOYSA-N;AMY37321;BCP11470;AKOS006228931;AB19652;CS-W000299;4-Methylamino-2-methanethiopyrimidine-5;AC-29428;DS-17060;PD129736;SY026665;2'-Amino-4',5'-Methylene dioxyacetophenone;A4097;FT-0671472;W-206329;2-(Methylthio)-4-(methylamino)pyrimidine-5-carbaldehyde;4-methylamino-2-methylsulfanyl-5-pyrimidinecarboxaldehyde;F2193-0023;4-Methylamino-2-(methylsulfanyl)pyrimidine-5-carboxaldehyde;4-Methylamino-2-methylsulfanyl-pyrimidine-5-carboxaldehyde

Chemical Property of 4-(Methylamino)-2-(methylthio)pyrimidine-5-carbaldehyde

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.588
• Boiling Point: 377.054 °C at 760 mmHg
• Flash Point: 181.836 °C
• PSA: 80.18000
• Density: 1.278 g/cm³
• LogP: 1.12570
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Solubility.: Chloroform, Dichloromethane, DMSO, Ethyl Acetate, Methanol
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 183.04663309
• Heavy Atom Count: 12
• Complexity: 156

Purity/Quality:

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

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC1=NC(=NC=C1C=O)SC
• Uses: Intermediate in the preparation of p38 kinase inhibitors

Technology Process of 4-(Methylamino)-2-(methylthio)pyrimidine-5-carbaldehyde

There total 10 articles about 4-(Methylamino)-2-(methylthio)pyrimidine-5-carbaldehyde 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: 94.0%

(4-methylamino-2-methylsulfanyl-pyrimidin-5-yl)-methanol (17759-30-7) → 4-methylamino-2-methylthiopyrimidine-5-carboxaldehyde (185040-32-8)

Guidance literature:

With manganese(IV) oxide; In chloroform; for 7h;

Reference yield: 75.0%

→ 4-methylamino-2-methylthiopyrimidine-5-carboxaldehyde (185040-32-8)

Guidance literature:

With manganese(IV) oxide; In chloroform; at 20 ℃;

Reference yield:

water-wet Raney nickel + 4-(methylamino)-2-(methylsulfanyl)pyrimidine-5-carbonitrile (185040-27-1) → 4-methylamino-2-methylthiopyrimidine-5-carboxaldehyde (185040-32-8)

Guidance literature:

With potassium carbonate; In formic acid;

upstream raw materials:

(4-methylamino-2-methylsulfanyl-pyrimidin-5-yl)-methanol

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

methylamine

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

Downstream raw materials:

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

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

Refernces

• 1、 Hashimoto, Tomoyuki,Kondo, Naoya,Hirata, Masahiko,Temma, Takashi. "Development of radioiodinated pyrimidinopyridone derivatives as targeted imaging probes of activated p38α for single photon emission computed tomography". . p. 1293 - 1304. Retrieved 2021/08/23.
• 2、 -. "PROTEIN KINASE INHIBITORS AND USES THEREOF FOR THE TREATMENT OF DISEASES AND CONDITIONS". Paragraph 0106; 0117; 0118. . Retrieved 2020/11/30.