1-(2-propynyl)-1H-pyrrole-3-carboxaldehyde

Base Information

• Chemical Name: 1-(2-propynyl)-1H-pyrrole-3-carboxaldehyde
• CAS No.: 104500-98-3
• Molecular Formula: C₈H₇NO
• Molecular Weight: 133.15
• European Community (EC) Number: 887-064-0
• Mol file: 104500-98-3.mol

Synonyms:1-prop-2-ynylpyrrole-3-carbaldehyde;104500-98-3;1H-Pyrrole-3-carboxaldehyde,1-(2-propynyl)-(9CI);1-(2-propynyl)-1H-pyrrole-3-carboxaldehyde;SCHEMBL10428457;PLGVJKUMVUANRG-UHFFFAOYSA-N;AKOS014320490;1-(prop-2-yn-1-yl)-1H-pyrrole-3-carbaldehyde;EN300-4266000;Z1255458893

Chemical Property of 1-(2-propynyl)-1H-pyrrole-3-carboxaldehyde

Chemical Property:

• PSA: 0.00000
• LogP: 0.00000
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 133.052763847
• Heavy Atom Count: 10
• Complexity: 167

Purity/Quality:

1-(2-propyn-1-yl)-1H-Pyrrole-3-carboxaldehyde 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C#CCN1C=CC(=C1)C=O

Technology Process of 1-(2-propynyl)-1H-pyrrole-3-carboxaldehyde

There total 1 articles about 1-(2-propynyl)-1H-pyrrole-3-carboxaldehyde 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: 90.0%

pyrrole-3-carboxaldehyde (7126-39-8) + propargyl bromide (106-96-7) → 1-(2-propynyl)-1H-pyrrole-3-carboxaldehyde (104500-98-3)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; Inert atmosphere;

DOI:10.1002/anie.201709584

Reference yield:

1-(2-propynyl)-1H-pyrrole-3-carboxaldehyde (104500-98-3) → C24H27N7O3

Guidance literature:

Multi-step reaction with 4 steps

1.1: methanol / 3 h / 20 °C / Inert atmosphere

2.1: pyridine / 4 h / -5 - 20 °C / Inert atmosphere

3.1: sodium hydroxide / methanol; water / 3 h / Reflux; Inert atmosphere

4.1: benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine / N,N-dimethyl-formamide / 1 h / 20 °C / Inert atmosphere

4.2: 24 h / 20 °C / Inert atmosphere

With pyridine; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; sodium hydroxide; In methanol; water; N,N-dimethyl-formamide;

DOI:10.1002/anie.201709584

Reference yield:

1-(2-propynyl)-1H-pyrrole-3-carboxaldehyde (104500-98-3) → C16H13N5O2

Guidance literature:

Multi-step reaction with 2 steps

1: methanol / 3 h / 20 °C / Inert atmosphere

2: pyridine / 4 h / -5 - 20 °C / Inert atmosphere

With pyridine; In methanol;

DOI:10.1002/anie.201709584

upstream raw materials:

pyrrole-3-carboxaldehyde

propargyl bromide