Methyl 2-[(2-formyl-1H-pyrrol-1-yl)methyl]pyridine-3-carboxylate

Base Information

• Chemical Name: Methyl 2-[(2-formyl-1H-pyrrol-1-yl)methyl]pyridine-3-carboxylate
• CAS No.: 473476-80-1
• Molecular Formula: C13H12N2O3
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID00701565
• Wikidata: Q82633276
• Mol file: 473476-80-1.mol

Synonyms:SCHEMBL4138571;DTXSID00701565;OHUAOBMDXLZCRF-UHFFFAOYSA-N;473476-80-1;Methyl 2-[(2-formyl-1H-pyrrol-1-yl)methyl]pyridine-3-carboxylate;2-(2-formyl-pyrrol-1-yl-methyl)-pyridine-3-carboxylic acid methyl ester;2-(2-formyl-pyrrol-1-ylmethyl)-pyridine-3-carboxylic acid methyl ester

Chemical Property of Methyl 2-[(2-formyl-1H-pyrrol-1-yl)methyl]pyridine-3-carboxylate

Chemical Property:

• PSA: 61.19000
• LogP: 1.53050
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 244.08479225
• Heavy Atom Count: 18
• Complexity: 309

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C(N=CC=C1)CN2C=CC=C2C=O

Technology Process of Methyl 2-[(2-formyl-1H-pyrrol-1-yl)methyl]pyridine-3-carboxylate

There total 2 articles about Methyl 2-[(2-formyl-1H-pyrrol-1-yl)methyl]pyridine-3-carboxylate 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:

2-pyrrole aldehyde (1003-29-8,254729-95-8) + 2-chloromethyl-pyridine-3-carboxylic acid methyl ester (177785-14-7) → 2-(2-formyl-pyrrol-1-yl-methyl)-pyridine-3-carboxylic acid methyl ester (473476-80-1)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; at 20 ℃;

DOI:10.1002/jhet.5570440430

Reference yield:

2-pyrrole aldehyde (1003-29-8,254729-95-8) + 3-(4-Methyl-piperazine-1-carbonyl)-4H-10H-3a + 2-chloromethyl-pyridine-3-carboxylic acid methyl ester (177785-14-7) → 2-(2-formyl-pyrrol-1-yl-methyl)-pyridine-3-carboxylic acid methyl ester (473476-80-1)

Guidance literature:

In ethyl acetate; N,N-dimethyl-formamide;

Reference yield:

2-(2-formyl-pyrrol-1-yl-methyl)-pyridine-3-carboxylic acid methyl ester (473476-80-1) → [3-(2-Formyl-pyrrol-1-yl-methyl)-pyridin-2-yl]-carbamic acid benzyl ester

Guidance literature:

With sodium hydroxide; diphenylphosphoranyl azide; benzyl alcohol; In methanol; benzene;

upstream raw materials:

2-pyrrole aldehyde

2-chloromethyl-pyridine-3-carboxylic acid methyl ester

Downstream raw materials:

1-(3-phenylacetyl-pyridin-2-ylmethyl)-1H-pyrrole-2-carbaldehyde

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