5-Cyclopropyl-8-fluoro-7-piperazinopyrimido(1,6-a)benzimidazole-1,3-dione trifluoroacetate

Base Information

Chemical Name:5-Cyclopropyl-8-fluoro-7-piperazinopyrimido(1,6-a)benzimidazole-1,3-dione trifluoroacetate
CAS No.:137858-17-4
Molecular Formula:C19H19F4N5O4
Molecular Weight:457.3789
Hs Code.:
DSSTox Substance ID:DTXSID40160339

Synonyms:5-Cyclopropyl-8-fluoro-7-piperazinopyrimido(1,6-a)benzimidazole-1,3-dione trifluoroacetate;137858-17-4;Pyrimido(1,6-a)benzimidazole-1,3(2H,5H)-dione, 5-cyclopropyl-8-fluoro-7-(1-piperazinyl)-, mono(trifluoroacetate);SCHEMBL9301612;DTXSID40160339;C17H18FN5O2.C2HF3O2;LS-136069;C17-H18-F-N5-O2.C2-H-F3-O2;5-cyclopropyl-8-fluoro-7-(1-piperazinyl)-pyrimido[1,6-a]benzimidazole-1,3(2H,5H)-dione trifluoroacetate

Suppliers and Price of 5-Cyclopropyl-8-fluoro-7-piperazinopyrimido(1,6-a)benzimidazole-1,3-dione trifluoroacetate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 5-Cyclopropyl-8-fluoro-7-piperazinopyrimido(1,6-a)benzimidazole-1,3-dione trifluoroacetate

Chemical Property:

Vapor Pressure:1.16E-17mmHg at 25°C
Boiling Point:647.7°C at 760 mmHg
Flash Point:345.5°C
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:2
Exact Mass:457.13731675
Heavy Atom Count:32
Complexity:714

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CC1N2C3=CC(=C(C=C3N4C2=CC(=O)NC4=O)F)N5CCNCC5.C(=O)(C(F)(F)F)O

Technology Process of 5-Cyclopropyl-8-fluoro-7-piperazinopyrimido(1,6-a)benzimidazole-1,3-dione trifluoroacetate

There total 10 articles about 5-Cyclopropyl-8-fluoro-7-piperazinopyrimido(1,6-a)benzimidazole-1,3-dione trifluoroacetate 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:

: 137858-28-7
tert-butyl 4-<5-cyclopropyl-8-fluoro-1,2,3,5-tetrahydro-1,3-dioxopyrimido<1,6-a>benzimidazol-7-yl>-1-piperizinecarboxylate

: 137858-17-4
5-cyclopropyl-8-fluoro-7-(1-piperazinyl)pyrimido<1,6-a>benzimidazole-1,3(2H,5H)-dione trifluoroacetate

Guidance literature:: With sodium bicarbonate; In ethanol; water; trifluoroacetic acid;

Reference yield:

: 578-28-9
1-Chloro-2,5-difluoro-4-nitrobenzene

: 137858-17-4
5-cyclopropyl-8-fluoro-7-(1-piperazinyl)pyrimido<1,6-a>benzimidazole-1,3(2H,5H)-dione trifluoroacetate

Guidance literature:: Multi-step reaction with 9 steps

1: 80 percent / triethylamine / Ambient temperature

2: 93 percent / triethylamine / 60 °C

3: 85 percent / KOH / methanol; H₂O / 3 h / 80 °C

4: 0.86 percent / NaHCO₃ / CHCl₃; H₂O / 2 h / Ambient temperature

5: 93 percent / H₂ / 5percent Pd/C / methanol

6: 15.5 percent / dimethylformamide / 1.5 h / 50 °C

7: 1.) NH₄Cl, NH₃, 2.) 50percent aq. NH₄OH / 1.) EtOH, RT, 24 h, 2.) EtOH, 50 deg C, 24 h

8: 0.76 g / DBU / tetrahydrofuran / 2 h / 60 °C

9: 208 mg / 2 h / Ambient temperature

With potassium hydroxide; ammonium hydroxide; hydrogen; sodium hydrogencarbonate; ammonium chloride; 1,8-diazabicyclo[5.4.0]undec-7-ene; triethylamine; palladium on activated charcoal; In tetrahydrofuran; methanol; chloroform; water; N,N-dimethyl-formamide;
DOI:10.1021/jm00086a006

Reference yield:

: 135861-04-0
5-chloro-n-cyclopropyl-4-fluoro-2-nitroaniline

: 137858-17-4
5-cyclopropyl-8-fluoro-7-(1-piperazinyl)pyrimido<1,6-a>benzimidazole-1,3(2H,5H)-dione trifluoroacetate

Guidance literature:: Multi-step reaction with 8 steps

1: 93 percent / triethylamine / 60 °C

2: 85 percent / KOH / methanol; H₂O / 3 h / 80 °C

3: 0.86 percent / NaHCO₃ / CHCl₃; H₂O / 2 h / Ambient temperature

4: 93 percent / H₂ / 5percent Pd/C / methanol

5: 15.5 percent / dimethylformamide / 1.5 h / 50 °C

6: 1.) NH₄Cl, NH₃, 2.) 50percent aq. NH₄OH / 1.) EtOH, RT, 24 h, 2.) EtOH, 50 deg C, 24 h

7: 0.76 g / DBU / tetrahydrofuran / 2 h / 60 °C

8: 208 mg / 2 h / Ambient temperature

With potassium hydroxide; ammonium hydroxide; hydrogen; sodium hydrogencarbonate; ammonium chloride; 1,8-diazabicyclo[5.4.0]undec-7-ene; triethylamine; palladium on activated charcoal; In tetrahydrofuran; methanol; chloroform; water; N,N-dimethyl-formamide;
DOI:10.1021/jm00086a006