BUTTPARK 58\40-96

Base Information

• Chemical Name: BUTTPARK 58\40-96
• CAS No.: 163080-53-3
• Molecular Formula: C₁₆H₁₂ClN₃
• Molecular Weight: 281.744
• Mol file: 163080-53-3.mol

Synonyms:11-chloro-7,8,9,10-tetrahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile

Chemical Property of BUTTPARK 58\40-96

Chemical Property:

• PKA: 2.12±0.20(Predicted)
• Density: 1.42±0.1 g/cm3(Predicted)

Purity/Quality:

99% ^*data from raw suppliers

11-Chloro-7,8,9,10-tetrahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of BUTTPARK 58\40-96

There total 3 articles about BUTTPARK 58\40-96 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: 96.0%

5,7,8,9,10,11-hexahydro-11-oxo-benzimidazo[1,2-b]isoquinoline-6-carbonitrile (163080-49-7) → 11-chloro-7,8,9,10-tetrahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile (163080-53-3)

Guidance literature:

With trichlorophosphate; Heating;

Reference yield:

1H-benzimidazol-2-acetonitrile (4414-88-4) → 11-chloro-7,8,9,10-tetrahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile (163080-53-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 67 percent / NH₄OAc / Heating

2: 96 percent / POCl₃ / 2 h / Heating

With ammonium acetate; trichlorophosphate; 1: cyclocondensation / 2: Substitution;

DOI:10.1016/S0223-5234(00)80036-7

Reference yield:

ethyl 2-oxocyclohexane carboxylate (1655-07-8) → 11-chloro-7,8,9,10-tetrahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile (163080-53-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 67 percent / NH₄OAc / Heating

2: 96 percent / POCl₃ / 2 h / Heating

With ammonium acetate; trichlorophosphate; 1: cyclocondensation / 2: Substitution;

DOI:10.1016/S0223-5234(00)80036-7

upstream raw materials:

5,7,8,9,10,11-hexahydro-11-oxo-benzimidazo[1,2-b]isoquinoline-6-carbonitrile

1H-benzimidazol-2-acetonitrile

ethyl 2-oxocyclohexane carboxylate

Downstream raw materials:

11-p-tolylamino-7,8,9,10-tetrahydro-benzo[4,5]imidazo[1,2-b]isoquinoline-6-carbonitrile

Refernces

• 1、 Russell, Ronald K.,Nievelt, Caroline E. van. "The Synthesis of Cycloalkylpyridobenzimidazole Carbonitrile Analogs". . p. 299 - 306. Retrieved 2007/10/02.