3-CYANOPYRROLE

Base Information

• Chemical Name: 3-CYANOPYRROLE
• CAS No.: 7126-38-7
• Molecular Formula: C5H4N2
• Molecular Weight: 92.1002
• Hs Code.: 2933990090
• Mol file: 7126-38-7.mol

Synonyms:Pyrrole-3-carbonitrile(7CI,8CI);3-Cyanopyrrole;3-Cyanopyrrole;

Chemical Property of 3-CYANOPYRROLE

Chemical Property:

• Vapor Pressure: 0.0195mmHg at 25°C
• Melting Point: 56-56.5℃
• Refractive Index: 1.549
• Boiling Point: 252.3 °C at 760 mmHg
• PKA: 14.60±0.50(Predicted)
• Flash Point: 97.6 °C
• PSA: 39.58000
• Density: 1.16 g/cm³
• LogP: 0.88638
• Storage Temp.: 2-8°C

Purity/Quality:

98%min ^*data from raw suppliers

Pyrrole-3-carbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Pyrrole-3-carbonitrile is a pyrrole derivative and a useful building block which is capable of participating in Diels-Alder reactions with high reactivity.

Technology Process of 3-CYANOPYRROLE

There total 6 articles about 3-CYANOPYRROLE 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%

4-cyanopyrrole-2-carboxylic acid (80242-24-6) → carbon dioxide (124-38-9,18923-20-1) + pyrrole-3-carbonitrile (7126-38-7)

Guidance literature:

With copper chromite; In quinoline; at 200 ℃; for 0.233333h;

Reference yield: 1.3%

(E/Z)-N-(3-Cyanopropyliden)asparaginsaeuredinitril → 2-Cyanopyridine (100-70-9,1232006-36-8) + pyridine-3-carbonitrile (100-54-9,121697-66-3,1232169-17-3,68271-95-4) + 2-methyl-(1H)-pyrrole-3-carbonitrile (26187-27-9) + pyrrole-3-carbonitrile (7126-38-7)

Guidance literature:

With 4 A molecular sieve; at 550 ℃; under 0.1 Torr;

DOI:10.1002/hlca.19940770814

Reference yield:

(E/Z)-N-(3-Cyanopropyliden)asparaginsaeuredinitril → 2-Cyanopyridine (100-70-9,1232006-36-8) + pyridine-3-carbonitrile (100-54-9,121697-66-3,1232169-17-3,68271-95-4) + 2-methyl-(1H)-pyrrole-3-carbonitrile (26187-27-9) + pyrrole-3-carbonitrile (7126-38-7) + 1,4-dihydronicotinamide (23974-91-6)

Guidance literature:

With 4 A molecular sieve; at 550 ℃; under 0.1 Torr; Product distribution; flash vaccum pyrolysis;

DOI:10.1002/hlca.19940770814

upstream raw materials:

4-cyanopyrrole-2-carboxylic acid

1,2,3-triazolo<1,5-b>pyridazine

2-(1H-tetrazol-5-yl)pyrazine

Downstream raw materials:

1H-Pyrrole-3-carboxylic acid acetyl-amide

brunfelsamidine

5-formyl-1H-pyrrole-3-carbonitrile

3-Fluoro-4-(3-cyano-1-pyrrolyl)nitrobenzene

Refernces

• 1、 Kvaskoff, David,Bednarek, Pawel,Wentrup, Curt. "2-pyridylnitrene and 3-pyridazylcarbene and their relationship via ring-expansion, ring-opening, ring-contraction, and fragmentation". scheme or table. p. 1600 - 1611. Retrieved 2010/05/01.
• 2、 Anderson, Hugh J.,Clase, J. Andrew,Loader, Charles E.. "PYRROLE CHEMISTRY. PART XXIX. A RE-EXAMINATION OF THE DECARBOXYLATION OF 4-ACETYL-, 4-FORMYL- AND 4-CYANO-PYRROLE-2-CARBOXYLIC ACIDS". . p. 401 - 408. Retrieved 2007/10/02.