1H-Pyrrole-2-carboxylicacid,1-(cyanomethyl)-,methylester(9CI)

Base Information

• Chemical Name: 1H-Pyrrole-2-carboxylicacid,1-(cyanomethyl)-,methylester(9CI)
• CAS No.: 123257-07-8
• Molecular Formula: C₈H₈N₂O₂
• Molecular Weight: 164.164
• Mol file: 123257-07-8.mol

Synonyms:1H-Pyrrole-2-carboxylicacid,1-(cyanomethyl)-,methylester(9CI);methyl 1-(cyanomethyl)-1H-pyrrole-2-carboxylate(SALTDATA: FREE)

Chemical Property of 1H-Pyrrole-2-carboxylicacid,1-(cyanomethyl)-,methylester(9CI)

Chemical Property:

• Vapor Pressure: 0.00146mmHg at 25°C
• Boiling Point: 296.1°C at 760 mmHg
• Flash Point: 132.9°C
• PSA: 55.02000
• Density: 1.14g/cm³
• LogP: 0.79828
• Storage Temp.: 2-8°C

Purity/Quality:

95+% ^*data from raw suppliers

Methyl 1-(cyanomethyl)-1H-pyrrole-2-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1H-Pyrrole-2-carboxylicacid,1-(cyanomethyl)-,methylester(9CI)

There total 1 articles about 1H-Pyrrole-2-carboxylicacid,1-(cyanomethyl)-,methylester(9CI) 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:

methyl Pyrrole-2-carboxylate (1193-62-0) + chloroacetonitrile (107-14-2) → methyl 1-(cyanomethyl)pyrrole-2-carboxylate (123257-07-8)

Guidance literature:

With potassium hydroxide; Yield given. Multistep reaction; 1.) DMSO, RT, 1 h, 2.) 48 h;

Reference yield: 72.0%

methyl 1-(cyanomethyl)pyrrole-2-carboxylate (123257-07-8) → 3,4-dihydropyrrolo<1,2-a>pyrazin-1(2H)-one (54906-42-2)

Guidance literature:

With sodium tetrahydroborate; In methanol; for 1h; Ambient temperature;

Reference yield:

methyl 1-(cyanomethyl)pyrrole-2-carboxylate (123257-07-8) → 2-methyl-3,4-dihydropyrrolo<1,2-a>pyrazin-1(2H)-one (54993-52-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 72 percent / CoCl₂, NaBH₄ / methanol / 1 h / Ambient temperature

2: 1.) NaH / 1.) DMF, RT, 1 h, 2.) 3 h

With sodium tetrahydroborate; sodium hydride; In methanol;

upstream raw materials:

methyl Pyrrole-2-carboxylate

chloroacetonitrile

Downstream raw materials:

3,4-dihydropyrrolo<1,2-a>pyrazin-1(2H)-one

2-methylpyrrolo<1,2-a>pyrazin-1(2H)-one

2-methyl-3,4-dihydropyrrolo<1,2-a>pyrazin-1(2H)-one

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