2,4-Quinazolinediamine, 5-(methylthio)-

Base Information

• Chemical Name: 2,4-Quinazolinediamine, 5-(methylthio)-
• CAS No.: 119584-80-4
• Molecular Formula: C₉H₁₀N₄S
• Molecular Weight: 206.271
• DSSTox Substance ID: DTXSID90152507
• Nikkaji Number: J272.210K
• Wikidata: Q83019154
• ChEMBL ID: CHEMBL139363
• Mol file: 119584-80-4.mol

Synonyms:119584-80-4;2,4-Quinazolinediamine, 5-(methylthio)-;5-(Methylthio)quinazoline-2,4-diamine;5-methylsulfanylquinazoline-2,4-diamine;CHEMBL139363;DTXSID90152507;2,4-Diamino-5-methylthio-quinazoline;5-(METHYLSULFANYL)QUINAZOLINE-2,4-DIAMINE

Chemical Property of 2,4-Quinazolinediamine, 5-(methylthio)-

Chemical Property:

• Vapor Pressure: 1.04E-10mmHg at 25°C
• Boiling Point: 514.8°Cat760mmHg
• Flash Point: 265.2°C
• Density: 1.4g/cm³
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 206.06261751
• Heavy Atom Count: 14
• Complexity: 201

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=CC=CC2=C1C(=NC(=N2)N)N

Technology Process of 2,4-Quinazolinediamine, 5-(methylthio)-

There total 6 articles about 2,4-Quinazolinediamine, 5-(methylthio)- 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: 67.0%

guanidine hydrogen carbonate (124-46-9,20734-13-8,100224-74-6,593-85-1,90332-86-8,3425-08-9) + 2-fluoro-6-(methylthio)benzonitrile (119584-71-3) → 2,4-diamino-5-(methylthio)quinazoline (119584-80-4)

Guidance literature:

In N,N-dimethyl acetamide; at 140 - 142 ℃; for 24h;

Reference yield: 38.0%

2-amino-6-(methylthio)benzonitrile (77326-38-6) + chloroformamidine hydrochloride (29671-92-9) → 2,4-diamino-5-(methylthio)quinazoline (119584-80-4)

Guidance literature:

In diethylene glycol dimethyl ether; at 130 - 140 ℃; for 3h;

DOI:10.1021/jm00163a067

Reference yield:

2,6-dinitrobenzonitrile (35213-00-4) → 2,4-diamino-5-(methylthio)quinazoline (119584-80-4)

Guidance literature:

Multi-step reaction with 3 steps

1: 81 percent / triethylamine / dimethylformamide / 0 °C

2: tin(II) chloride hydrate, concentrated hydrochloric acid / bis-(2-methoxy-ethyl) ether / 1.5 h / Ambient temperature

3: 38 percent / bis-(2-methoxy-ethyl) ether / 3 h / 130 - 140 °C

With hydrogenchloride; triethylamine; tin(ll) chloride; In diethylene glycol dimethyl ether; N,N-dimethyl-formamide;

DOI:10.1021/jm00163a067

upstream raw materials:

2-amino-6-(methylthio)benzonitrile

chloroformamidine hydrochloride

guanidine hydrogen carbonate

2-fluoro-6-(methylthio)benzonitrile