6-Chloro-N-isopropyl-N'-phenyl-[1,3,5]triazine-2,4-diamine

Base Information

• Chemical Name: 6-Chloro-N-isopropyl-N'-phenyl-[1,3,5]triazine-2,4-diamine
• CAS No.: 53773-09-4
• Molecular Formula: C₁₂H₁₄ClN₅
• Molecular Weight: 263.73
• DSSTox Substance ID: DTXSID001324627
• ChEMBL ID: CHEMBL1429620
• Mol file: 53773-09-4.mol

Synonyms:53773-09-4;6-Chloro-N2-isopropyl-N4-phenyl-1,3,5-triazine-2,4-diamine;MLS001207820;SCHEMBL1924308;CHEMBL1429620;GLIWCUXRQXXJHM-UHFFFAOYSA-N;6-Chloro-N-isopropyl-N'-phenyl-[1,3,5]triazine-2,4-diamine;DTXSID001324627;HMS2815K05;6-chloro-4-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;AKOS000558605;SMR000515158;6-chloro-N-isopropyl-N'-phenyl-1,3,5-triazine-2,4-diamine

Chemical Property of 6-Chloro-N-isopropyl-N'-phenyl-[1,3,5]triazine-2,4-diamine

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 263.0937732
• Heavy Atom Count: 18
• Complexity: 245

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)NC1=NC(=NC(=N1)NC2=CC=CC=C2)Cl

Technology Process of 6-Chloro-N-isopropyl-N'-phenyl-[1,3,5]triazine-2,4-diamine

There total 3 articles about 6-Chloro-N-isopropyl-N'-phenyl-[1,3,5]triazine-2,4-diamine 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: 75.0%

2-phenylamino-4,6-dichloro-s-triazine (2272-40-4) + isopropylamine (75-31-0) → N-phenyl-N’-isopropyl-6-chloro-[1,3,5]triazine-2,4-diamine (53773-09-4)

Guidance literature:

2-phenylamino-4,6-dichloro-s-triazine; With N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; for 0.0333333h;

isopropylamine; In tetrahydrofuran; at 20 ℃; for 6h;

Reference yield:

2,4-dichloro-6-isopropylamino-1,3,5-triazine (3703-10-4) + aniline (62-53-3) → N-phenyl-N’-isopropyl-6-chloro-[1,3,5]triazine-2,4-diamine (53773-09-4)

Guidance literature:

2,4-dichloro-6-isopropylamino-1,3,5-triazine; With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 0 ℃; for 0.0833333h; Inert atmosphere;

aniline; In dichloromethane; at 0 ℃; Inert atmosphere;

DOI:10.1021/jm901069a

Reference yield:

aniline (62-53-3) → N-phenyl-N’-isopropyl-6-chloro-[1,3,5]triazine-2,4-diamine (53773-09-4)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium hydrogencarbonate / tetrahydrofuran / 0.03 h / Cooling with ice

1.2: 4.5 h / 20 °C / Cooling with ice

2.1: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 0.03 h

2.2: 6 h / 20 °C

With sodium hydrogencarbonate; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran;

upstream raw materials:

2-phenylamino-4,6-dichloro-s-triazine

isopropylamine

2,4-dichloro-6-isopropylamino-1,3,5-triazine

aniline

Downstream raw materials:

6-(isopropylamino)-4-(phenylamino)-1,3,5-triazine-2-carbonitrile