3-ethynyl-1H-pyrrole

Base Information

• Chemical Name: 3-ethynyl-1H-pyrrole
• CAS No.: 71580-43-3
• Molecular Formula: C6H5N
• Molecular Weight: 91.1124
• DSSTox Substance ID: DTXSID50569278
• Nikkaji Number: J461.576J
• Wikidata: Q82456395
• Mol file: 71580-43-3.mol

Synonyms:3-ethynyl-1H-pyrrole;1H-Pyrrole, 3-ethynyl-;71580-43-3;DTXSID50569278;AKOS006373462;EN300-787627

Chemical Property of 3-ethynyl-1H-pyrrole

Chemical Property:

• Boiling Point: 191.4±13.0 °C(Predicted)
• PSA: 15.79000
• Density: 1.04±0.1 g/cm3(Predicted)
• LogP: 0.99600
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 91.042199164
• Heavy Atom Count: 7
• Complexity: 98

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CC1=CNC=C1

Technology Process of 3-ethynyl-1H-pyrrole

There total 3 articles about 3-ethynyl-1H-pyrrole 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:

3,-pyridylmethyl radical (61204-14-6) → 2-ethynyl-1H-pyrrole (67237-51-8) + 3-ethynyl-1H-pyrrole (71580-43-3) + penta-1,3-diyne (4911-55-1) + propynyl radical (6401-87-2,2932-78-7) + 1,3-cyclopentadiene-1-carbonitrile (20830-58-4) + cyclopenta-1,4-diene-1-carbonitrile (20830-59-5) + cyclopenta-2,4-dienyl (2143-53-5) + cyanocyclopentadienyl radical (129836-93-7) + cyclopenta-1,3-diene (542-92-7,25568-84-7,7313-32-8) + 2,4-pentadiynyl radical

Guidance literature:

at 600 ℃; under 525.053 Torr; Pyrolysis; Inert atmosphere;

DOI:10.1002/chem.201903937

Reference yield:

2-(Aminomethyl)pyridine (3731-51-9) → 2-ethynyl-1H-pyrrole (67237-51-8) + 3-ethynyl-1H-pyrrole (71580-43-3) + penta-1,3-diyne (4911-55-1) + propynyl radical (6401-87-2,2932-78-7) + 1,3-cyclopentadiene-1-carbonitrile (20830-58-4) + cyclopenta-1,4-diene-1-carbonitrile (20830-59-5) + cyclopenta-2,4-dienyl (2143-53-5) + cyanocyclopentadienyl radical (129836-93-7) + cyclopenta-1,3-diene (542-92-7,25568-84-7,7313-32-8) + 2,4-pentadiynyl radical

Guidance literature:

at 600 ℃; Pyrolysis;

DOI:10.1002/chem.201903937

Reference yield:

4-(aminomethyl)pyridine (3731-53-1) → 2-ethynyl-1H-pyrrole (67237-51-8) + 3-ethynyl-1H-pyrrole (71580-43-3) + penta-1,3-diyne (4911-55-1) + propynyl radical (6401-87-2,2932-78-7) + 1,3-cyclopentadiene-1-carbonitrile (20830-58-4) + cyclopenta-1,4-diene-1-carbonitrile (20830-59-5) + cyclopenta-2,4-dienyl (2143-53-5) + cyanocyclopentadienyl radical (129836-93-7) + cyclopenta-1,3-diene (542-92-7,25568-84-7,7313-32-8) + 2,4-pentadiynyl radical

Guidance literature:

at 600 ℃; Pyrolysis;

DOI:10.1002/chem.201903937

upstream raw materials:

2-(Aminomethyl)pyridine

4-(aminomethyl)pyridine

3,-pyridylmethyl radical