HG-9-91-01

Base Information

• Chemical Name: HG-9-91-01
• CAS No.: 1456858-58-4
• Molecular Formula: C32H37N7O3
• Molecular Weight: 567.68128
• Mol file: 1456858-58-4.mol

Synonyms:HG-9-91-01;N-(2,4-Dimethoxyphenyl)-N'-(2,6-dimethylphenyl)-N-[6-[[4-(4-methyl-1-piperazinyl)phenyl]amino]-4-pyrimidinyl]urea

Chemical Property of HG-9-91-01

Chemical Property:

• Boiling Point: 790.8±60.0 °C(Predicted)
• PKA: 13.11±0.70(Predicted)
• PSA: 95.09000
• Density: 1.257±0.06 g/cm3(Predicted)
• LogP: 6.12510
• Solubility.: ≥56.8 mg/mL in DMSO; ≥27.3 mg/mL in EtOH; ≥6.35 mg/mL in H2O with ultrasonic

Purity/Quality:

97% ^*data from raw suppliers

HG-9-91-01 >98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of HG-9-91-01

There total 2 articles about HG-9-91-01 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: 34.0%

4-N-(2,4-dimethoxyphenyl)-6-N-(4-(4-methylpiperazin-1-yl)phenyl)pyrimidine-4,6-diamine + 2,6-dimethylphenylisocyanate (28556-81-2) → 1-(2,4-dimethoxyphenyl)-3-(2,6-dimethyl phenyl)-1-(6-((4-(4-methylpiperazin-1-yl)phenyl)amino)pyrimidin-4-yl)urea (1456858-58-4) + 1-(6-((2,4-dimethoxyphenyl)amino)pyrimidin-4-yl)-3-(2,6-dimethylphenyl)-1-(4-(4-methylpiperazin-1-yl)phenyl)urea

Guidance literature:

In toluene; at 130 ℃; for 2h; Microwave irradiation;

Reference yield:

2,4-Dimethoxyaniline (2735-04-8,161687-55-4) → 1-(2,4-dimethoxyphenyl)-3-(2,6-dimethyl phenyl)-1-(6-((4-(4-methylpiperazin-1-yl)phenyl)amino)pyrimidin-4-yl)urea (1456858-58-4) + 1-(6-((2,4-dimethoxyphenyl)amino)pyrimidin-4-yl)-3-(2,6-dimethylphenyl)-1-(4-(4-methylpiperazin-1-yl)phenyl)urea

Guidance literature:

Multi-step reaction with 3 steps

1: N-ethyl-N,N-diisopropylamine / isopropyl alcohol / 24 h / 50 °C

2: trifluoroacetic acid / iso-butanol / 24 h / 100 °C

3: toluene / 2 h / 130 °C / Microwave irradiation

With N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; In isopropyl alcohol; toluene; iso-butanol;

upstream raw materials:

2,6-dimethylphenylisocyanate

2,4-Dimethoxyaniline