HG6-64-1

Base Information

• Chemical Name: HG6-64-1
• CAS No.: 1315329-43-1
• Molecular Formula: C₃₂H₃₄F₃N₅O₂
• Molecular Weight: 577.649
• Hs Code.: 2933998090
• Mol file: 1315329-43-1.mol

Synonyms:HG₆-64-1

Chemical Property of HG6-64-1

Chemical Property:

• PKA: 13.24±0.70(Predicted)
• Density: 1.295±0.06 g/cm3(Predicted)

Purity/Quality:

99.90% ^*data from raw suppliers

HG6-64-1 >98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of HG6-64-1

There total 8 articles about HG6-64-1 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: 90.0%

(E)-tert-butyl 5-(5-((4-((4-ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)carbamoyl)-2-methylstyryl)-4-methoxy-1H-pyrrolo[2,3-b]pyridine-1-carboxylate → HG6-64-1 (1315329-43-1)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 0 ℃; for 2.5h;

DOI:10.1021/jm500480k

Reference yield: 51.0%

4-(4-ethylpiperazin-1-ylmethyl)-3-trifluoromethylphenylamine (630125-91-6) + (E)-3-(2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)vinyl)-4-methylbenzoic acid (1315467-35-6) → HG6-64-1 (1315329-43-1)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; HATU; In N,N-dimethyl-formamide; at 60 ℃;

Reference yield:

4-(4-ethylpiperazin-1-ylmethyl)-3-trifluoromethylphenylamine (630125-91-6) → HG6-64-1 (1315329-43-1)

Guidance literature:

Multi-step reaction with 3 steps

1: N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; dmap; N-ethyl-N,N-diisopropylamine / dichloromethane / 24 h / 20 °C

2: N-ethyl-N,N-diisopropylamine; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; tri-tert-butyl phosphine / toluene / 15 h / 20 - 80 °C / Inert atmosphere

3: trifluoroacetic acid / dichloromethane / 2.5 h / 0 °C

With dmap; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; tri-tert-butyl phosphine; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In dichloromethane; toluene; 2: |Heck-Fujiwara Coupling;

DOI:10.1021/jm500480k

upstream raw materials:

4-(4-ethylpiperazin-1-ylmethyl)-3-trifluoromethylphenylamine

(E)-3-(2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)vinyl)-4-methylbenzoic acid

3-iodo-4-toluic acid

4-chloro-1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde