2-(Methylthio)-4-(phenylamino)pyrimidine-5-carbaldehyde

Base Information

• Chemical Name: 2-(Methylthio)-4-(phenylamino)pyrimidine-5-carbaldehyde
• CAS No.: 211245-56-6
• Molecular Formula: C12H11N3OS
• Molecular Weight: 245.3
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID50442153
• Nikkaji Number: J2.304.576A
• Wikidata: Q82259272
• Mol file: 211245-56-6.mol

Synonyms:211245-56-6;2-(Methylthio)-4-(phenylamino)pyrimidine-5-carbaldehyde;2-METHYLSULFANYL-4-PHENYLAMINO-PYRIMIDINE-5-CARBALDEHYDE;4-anilino-2-methylsulfanylpyrimidine-5-carbaldehyde;2-(methylsulfanyl)-4-(phenylamino)pyrimidine-5-carbaldehyde;SCHEMBL4716419;DTXSID50442153;MFCD04115118;AKOS016010136;AB19656;CS-0318315;FT-0758886;D79708;A815149;W-206597;4-Anilino-2-(methylsulfanyl)pyrimidine-5-carbaldehyde;2-(Methylsulfanyl)-(4-phenylamino)pyrimidine-5-carbaldehyde;2-Methylsulfanyl-4-phenylamino-pyriomidine-5-carbaldehyde;2-METHYLSULFANYL-4-PHENYLAMINOPYRIMIDINE-5-CARBOXALDEHYDE

Chemical Property of 2-(Methylthio)-4-(phenylamino)pyrimidine-5-carbaldehyde

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 437.031°C at 760 mmHg
• Flash Point: 218.109°C
• PSA: 80.18000
• Density: 1.311g/cm³
• LogP: 2.82760
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 245.06228316
• Heavy Atom Count: 17
• Complexity: 246

Purity/Quality:

97% ^*data from raw suppliers

2-Methylsulfanyl-4-phenylamino-pyrimidine-5-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=NC=C(C(=N1)NC2=CC=CC=C2)C=O

Technology Process of 2-(Methylthio)-4-(phenylamino)pyrimidine-5-carbaldehyde

There total 6 articles about 2-(Methylthio)-4-(phenylamino)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:

(2-Methanesulfanyl-4-phenylamino-pyrimidin-5-yl)-methanol (211245-55-5) → 2-methanesulfanyl-4-phenylamino-pyrimidine-5-carboxaldehyde (211245-56-6)

Guidance literature:

With manganese(IV) oxide; In chloroform;

DOI:10.1021/jm000271k

Reference yield:

(4-ethylamino-2-methanesulfanyl-pyrimidin-5-yl)-methanol (185040-34-0) → 2-methanesulfanyl-4-phenylamino-pyrimidine-5-carboxaldehyde (211245-56-6)

Guidance literature:

In chloroform;

Reference yield:

4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester (5909-24-0) + aniline (62-53-3) → 2-methanesulfanyl-4-phenylamino-pyrimidine-5-carboxaldehyde (211245-56-6)

Guidance literature:

4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester; aniline; In acetonitrile;

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 ℃;

With manganese(IV) oxide; In dichloromethane;

DOI:10.1016/j.tetlet.2006.02.155

upstream raw materials:

(2-Methanesulfanyl-4-phenylamino-pyrimidin-5-yl)-methanol

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

aniline

2-methanesulfanyl-4-phenylamino-pyrimidine-5-carboxylic acid ethyl ester

Downstream raw materials:

5-(2-chlorophenyl)aminomethyl-4-phenylamino-2-methylthiopyrimidine

2-methanesulfinyl-8-phenyl-8H-pyrido[2,3-d]pyrimidin-7-one

2-Methanesulfanyl-8-phenyl-8H-pyrido[2,3-d]pyrimidin-7-one