2-(1H-pyrrol-1-ylmethyl)pyridine

Base Information

• Chemical Name: 2-(1H-pyrrol-1-ylmethyl)pyridine
• CAS No.: 78210-51-2
• Molecular Formula: C10H10 N2
• Molecular Weight: 158.2
• Hs Code.: 2933399990
• European Community (EC) Number: 804-737-6
• DSSTox Substance ID: DTXSID50352960
• Nikkaji Number: J1.751.182C
• Wikidata: Q82130405
• Mol file: 78210-51-2.mol

Synonyms:2-(1H-pyrrol-1-ylmethyl)pyridine;78210-51-2;2-(pyrrol-1-ylmethyl)pyridine;2-((1H-Pyrrol-1-yl)methyl)pyridine;1-(2-Pyridylmethyl)pyrrole;SCHEMBL7475272;DTXSID50352960;YFGRUERUDFISJK-UHFFFAOYSA-N;N-(pyridinyl-2-methyl)-1h-pyrrole;BBL020351;STK891558;AKOS000114036;SB62969;SDCCGMLS-0066089.P001;CS-0358263;FT-0608373;2-(1H-pyrrol-1-ylmethyl)pyridine, AldrichCPR;S-[11beta,17-dihydroxypregn-4-ene-3,20-dione]21-(thiopivalate)

Chemical Property of 2-(1H-pyrrol-1-ylmethyl)pyridine

Chemical Property:

• Vapor Pressure: 0.0232mmHg at 25°C
• Boiling Point: 100°C/0.5mm
• PKA: 3.33±0.12(Predicted)
• Flash Point: 109.6°C
• PSA: 17.82000
• Density: 1.04g/cm³
• LogP: 1.93140
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 158.084398327
• Heavy Atom Count: 12
• Complexity: 130

Purity/Quality:

98%Min ^*data from raw suppliers

2-(1H-Pyrrol-1-ylmethyl)pyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=NC(=C1)CN2C=CC=C2

Technology Process of 2-(1H-pyrrol-1-ylmethyl)pyridine

There total 5 articles about 2-(1H-pyrrol-1-ylmethyl)pyridine 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: 91.0%

pyridine-2-carbaldehyde (1121-60-4) + 4R-4-hydroxyproline (51-35-4,30724-02-8) → 2-((1H-pyrrol-1-yl)methyl)pyridine (78210-51-2)

Guidance literature:

With acetic acid; In N,N-dimethyl-formamide; for 0.666667h; Reflux;

DOI:10.1007/s11426-011-4445-1

Reference yield: 79.0%

2-[(1-Pyrrolidinyl)methyl]pyridine (60032-62-4) → 2-((1H-pyrrol-1-yl)methyl)pyridine (78210-51-2)

Guidance literature:

With β‐cyclodextrin; 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione; In water; at 20 ℃; for 9h;

DOI:10.1016/j.tetlet.2011.06.077

Reference yield: 78.0%

cis,trans-2,5-dimethoxytetrahydrofuran (696-59-3) + 2-(Aminomethyl)pyridine (3731-51-9) → 2-((1H-pyrrol-1-yl)methyl)pyridine (78210-51-2)

Guidance literature:

With water; at 140 ℃; for 0.333333h; Microwave irradiation;

DOI:10.1039/b900784a

upstream raw materials:

cis,trans-2,5-dimethoxytetrahydrofuran

2-(Aminomethyl)pyridine

pyridine-2-carbaldehyde

4R-4-hydroxyproline

Downstream raw materials:

4-[1-(pyridyn-2-ylmethyl)pyrrol-2-yl]benzonitryle