4-Chloro-2-(7,7-diMethyl-1-oxo-3,4,7,8-tetrahydro-1H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-2(6H)-yl)nicotinaldehyde

Base Information

• Chemical Name: 4-Chloro-2-(7,7-diMethyl-1-oxo-3,4,7,8-tetrahydro-1H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-2(6H)-yl)nicotinaldehyde
• CAS No.: 1434050-55-1
• Molecular Formula: C₁₈H₁₈ClN₃O₂
• Molecular Weight: 343.813
• Mol file: 1434050-55-1.mol

Synonyms:4-Chloro-2-(7,7-diMethyl-1-oxo-3,4,7,8-tetrahydro-1H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-2(6H)-yl)nicotinaldehyde;4-Chloro-2-(7,7-dimethyl-1-oxo-3,4,7,8-tetrahydro-1H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-2(6H)-;4-chloro-2-(7,7-dimethyl-1-oxo-1,3,4,6,7,8-hexahydro-2H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-2-yl)nicotinaldehyde

Chemical Property of 4-Chloro-2-(7,7-diMethyl-1-oxo-3,4,7,8-tetrahydro-1H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-2(6H)-yl)nicotinaldehyde

Chemical Property:

• Boiling Point: 571.2±50.0 °C(Predicted)
• PKA: 1.78±0.10(Predicted)
• PSA: 55.20000
• Density: 1.42±0.1 g/cm3(Predicted)
• LogP: 3.19920

Purity/Quality:

99%, ^*data from raw suppliers

4-Chloro-2-(7,7-dimethyl-1-oxo-3,4,7,8-tetrahydro-1H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-2(6H)-yl)nicotinaldehyde 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 4-Chloro-2-(7,7-diMethyl-1-oxo-3,4,7,8-tetrahydro-1H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-2(6H)-yl)nicotinaldehyde

There total 13 articles about 4-Chloro-2-(7,7-diMethyl-1-oxo-3,4,7,8-tetrahydro-1H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-2(6H)-yl)nicotinaldehyde 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: 85.0%

7,7-dimethyl-3,4,7,8-tetrahydro-2H-cyclopenta[4,5]pyrrolo-[1,2-a]pyrazin-1(6H)-one (1346674-23-4) + 2,4-dichloro-3-pyridine Carboxaldehyde (134031-24-6) → 4-chloro-2-{4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl}pyridine-3-carbaldehyde (1434050-55-1)

Guidance literature:

With 1,1'-bis-(diphenylphosphino)ferrocene; palladium diacetate; potassium carbonate; In tetrahydrofuran; at 68 ℃; for 28h; Inert atmosphere;

Reference yield: 63.0%

7,7-dimethyl-3,4,7,8-tetrahydro-2H-cyclopenta[4,5]pyrrolo-[1,2-a]pyrazin-1(6H)-one (1346674-23-4) + 2-bromo-4-chloropyridine-3-carboxaldehyde (1289197-78-9) → 4-chloro-2-{4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl}pyridine-3-carbaldehyde (1434050-55-1)

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; caesium carbonate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In 1,4-dioxane; at 90 ℃; for 5h; Inert atmosphere;

DOI:10.1021/acs.jmedchem.7b01712

Reference yield:

2-chloro-4,4- dimethylcyclopent-1-ene-1-carbaldehyde (1346672-63-6) → 4-chloro-2-{4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl}pyridine-3-carbaldehyde (1434050-55-1)

Guidance literature:

Multi-step reaction with 6 steps

1.1: benzene / 14 h

2.1: sodium azide / dimethyl sulfoxide / 8 h / 75 °C / Inert atmosphere

3.1: sodium hydride / N,N-dimethyl-formamide; mineral oil / 1.5 h / 20 °C / Inert atmosphere

3.2: 14 h / 20 °C / Inert atmosphere

4.1: palladium 10% on activated carbon; hydrogen; hydrogenchloride / ethanol; ethyl acetate / 6 h / 2585.81 Torr

5.1: sodium ethanolate / ethanol / 55 °C / Inert atmosphere

6.1: tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; caesium carbonate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene / 1,4-dioxane / 5 h / 90 °C / Inert atmosphere

With hydrogenchloride; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; sodium azide; palladium 10% on activated carbon; hydrogen; sodium ethanolate; sodium hydride; caesium carbonate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In 1,4-dioxane; ethanol; dimethyl sulfoxide; ethyl acetate; N,N-dimethyl-formamide; mineral oil; benzene;

upstream raw materials:

3-Methyl-2-cyclopenten-1-one

3,3-dimethylcyclopentanone

2-chloro-4,4- dimethylcyclopent-1-ene-1-carbaldehyde

(E)-ethyl 3-(2-Chloro-4,4-dimethylcyclopent-1-enyl)acrylate

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