N,N-dimethyl-2-(methylsulfanyl)-4-quinazolinamine

Base Information

• Chemical Name: N,N-dimethyl-2-(methylsulfanyl)-4-quinazolinamine
• CAS No.: 81683-42-3
• Molecular Formula: C₁₁H₁₃N₃S
• Molecular Weight: 219.31
• DSSTox Substance ID: DTXSID801324833
• ChEMBL ID: CHEMBL1393899
• Mol file: 81683-42-3.mol

Synonyms:81683-42-3;N,N-dimethyl-2-(methylsulfanyl)-4-quinazolinamine;N,N-dimethyl-2-methylsulfanylquinazolin-4-amine;N,N-dimethyl-2-(methylsulfanyl)quinazolin-4-amine;MLS000764246;CHEMBL1393899;DTXSID801324833;HMS2691K21;MFCD01443969;AKOS015992981;5N-545S;SMR000335083

Chemical Property of N,N-dimethyl-2-(methylsulfanyl)-4-quinazolinamine

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 219.08301860
• Heavy Atom Count: 15
• Complexity: 210

Purity/Quality:

97% ^*data from raw suppliers

N,N-DIMETHYL-2-(METHYLSULFANYL)-4-QUINAZOLINAMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN(C)C1=NC(=NC2=CC=CC=C21)SC

Technology Process of N,N-dimethyl-2-(methylsulfanyl)-4-quinazolinamine

There total 3 articles about N,N-dimethyl-2-(methylsulfanyl)-4-quinazolinamine 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: 26.0%

2-chloro-4-methylthioquinazoline (66433-07-6) + dimethyl amine (124-40-3) → 2-dimetylamino-4-methylthioquinazoline (66433-20-3) + 4-dimethylamino-2-methylthioquinazoline (81683-42-3) + 2-chloro-N,N-dimethylquinazolin-4-amine (35691-16-8) + 2,4-bis(dimethylamino)quinazoline (59594-54-6)

Guidance literature:

With triethylamine; In water; N,N-dimethyl-formamide; at 80 - 85 ℃; for 0.333333h; Further byproducts given;

DOI:10.1248/cpb.30.2313

Reference yield: 26.0%

2-chloro-4-methylthioquinazoline (66433-07-6) + dimethyl amine (124-40-3) → 2,4-bis(methylthio)quinazoline (48141-61-3) + 2-dimetylamino-4-methylthioquinazoline (66433-20-3) + 4-dimethylamino-2-methylthioquinazoline (81683-42-3) + 2-chloro-N,N-dimethylquinazolin-4-amine (35691-16-8)

Guidance literature:

In N,N-dimethyl-formamide; at 85 ℃; for 0.333333h; Further byproducts given;

Reference yield: 5.0%

2-chloro-4-methylthioquinazoline (66433-07-6) + dimethyl amine (124-40-3) → 2,4-bis(methylthio)quinazoline (48141-61-3) + 2-dimetylamino-4-methylthioquinazoline (66433-20-3) + 4-dimethylamino-2-methylthioquinazoline (81683-42-3) + 2-chloro-N,N-dimethylquinazolin-4-amine (35691-16-8) + 2,4-bis(dimethylamino)quinazoline (59594-54-6)

Guidance literature:

With triethylamine; In water; N,N-dimethyl-formamide; at 80 - 85 ℃; for 0.333333h; Mechanism;

DOI:10.1248/cpb.30.2313

upstream raw materials:

2-chloro-4-methylthioquinazoline

dimethyl amine