2-(Tert-butylamino)-4-chloro-6-cyclopropylamino-1,3,5-triazine

Base Information

• Chemical Name: 2-(Tert-butylamino)-4-chloro-6-cyclopropylamino-1,3,5-triazine
• CAS No.: 26737-71-3
• Molecular Formula: C₁₀H₁₆ClN₅
• Molecular Weight: 241.724
• DSSTox Substance ID: DTXSID70603562
• Wikidata: Q82501011
• Mol file: 26737-71-3.mol

Synonyms:2-(TERT-BUTYLAMINO)-4-CHLORO-6-CYCLOPROPYLAMINO-1,3,5-TRIAZINE;26737-71-3;2-N-Tert-Butyl-6-Chloro-4-N-Cyclopropyl-1,3,5-Triazine-2,4-Diamine;SCHEMBL10816110;DTXSID70603562;DB-312924;J-016532;N~2~-tert-Butyl-6-chloro-N~4~-cyclopropyl-1,3,5-triazine-2,4-diamine

Chemical Property of 2-(Tert-butylamino)-4-chloro-6-cyclopropylamino-1,3,5-triazine

Chemical Property:

• Melting Point: 155-158°C
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 241.1094232
• Heavy Atom Count: 16
• Complexity: 238

Purity/Quality:

98%Min ^*data from raw suppliers

2-(tert-Butylamino)-4-chloro-6-cyclopropylamino-1,3,5-triazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)NC1=NC(=NC(=N1)NC2CC2)Cl

Technology Process of 2-(Tert-butylamino)-4-chloro-6-cyclopropylamino-1,3,5-triazine

There total 2 articles about 2-(Tert-butylamino)-4-chloro-6-cyclopropylamino-1,3,5-triazine 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%

2,4-dichloro-6-t-butylamino-1,3,5-triazine (27282-85-5) + Cyclopropylamine (765-30-0) → N2-tert-butyl-6-chloro-N4-cyclopropyl-1,3,5-triazine-2,4-diamine (26737-71-3)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In ethanol;

DOI:10.1021/ac980241d

Reference yield:

→ N2-tert-butyl-6-chloro-N4-cyclopropyl-1,3,5-triazine-2,4-diamine (26737-71-3)

Guidance literature:

Reference yield: 93.0%

N2-tert-butyl-6-chloro-N4-cyclopropyl-1,3,5-triazine-2,4-diamine (26737-71-3) + carbonic acid dimethyl ester (616-38-6) → 2-methylthio-4-t-butylamino-6-cyclopropyl-amino-s-triazine (28159-98-0)

Guidance literature:

With potassium tert-butylate; palladium diacetate; triphenylphosphine; potassium thioacetate; In dimethyl sulfoxide; at 120 ℃; Inert atmosphere;

upstream raw materials:

2,4-dichloro-6-t-butylamino-1,3,5-triazine

Cyclopropylamine

Downstream raw materials:

2-methylthio-4-t-butylamino-6-cyclopropyl-amino-s-triazine