Methyl 2-phenylnicotinate

Base Information

• Chemical Name: Methyl 2-phenylnicotinate
• CAS No.: 188797-88-8
• Molecular Formula: C₁₃H₁₁NO₂
• Molecular Weight: 213.236
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID10444370
• Nikkaji Number: J809.466G
• Wikidata: Q72497975
• Mol file: 188797-88-8.mol

Synonyms:188797-88-8;Methyl 2-phenylnicotinate;2-Phenyl-nicotinic acid methyl ester;2-Phenylnicotinic acid methyl ester;Methyl 2-phenylpyridine-3-carboxylate;Methyl2-phenylnicotinate;3-Pyridinecarboxylic acid, 2-phenyl-, methyl ester;SCHEMBL7649536;DTXSID10444370;KWUIFNXSOUKTKE-UHFFFAOYSA-N;MFCD07357448;AKOS015891522;AC-9575;CS-0150861;FT-0645199;2-Phenylpyridine-3-carboxylic acid methyl ester;A26188;D94603

Chemical Property of Methyl 2-phenylnicotinate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.567
• Boiling Point: 346.407 °C at 760 mmHg
• Flash Point: 163.301 °C
• PSA: 39.19000
• Density: 1.147 g/cm³
• LogP: 2.53520
• Storage Temp.: 2-8°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 213.078978594
• Heavy Atom Count: 16
• Complexity: 236

Purity/Quality:

99% ^*data from raw suppliers

Methyl2-phenylnicotinate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C(N=CC=C1)C2=CC=CC=C2

Technology Process of Methyl 2-phenylnicotinate

There total 1 articles about Methyl 2-phenylnicotinate 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:

C10H10O3*C2H7NO → methyl 2-phenylpyridine-3-carboxylate (188797-88-8)

Guidance literature:

Multi-step reaction with 2 steps

1: acetic acid / 80 °C / Inert atmosphere; Sealed tube

2: 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione / tetrahydrofuran / 12 h / 120 °C / Sealed tube; Green chemistry

With acetic acid; 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione; In tetrahydrofuran;

DOI:10.1021/acs.joc.0c00625

Reference yield:

methyl 2-phenylpyridine-3-carboxylate (188797-88-8) → C52H48IrN3

Guidance literature:

Multi-step reaction with 5 steps

1: tetrahydrofuran / 0 °C

2: boron trifluoride diethyl etherate / dichloromethane / 24 h / Inert atmosphere

3: water; 2-ethoxy-ethanol / 24 h / Reflux

4: dichloromethane; isopropyl alcohol / 24 h / 20 °C

5: ethanol / 24 h / Inert atmosphere

With boron trifluoride diethyl etherate; In tetrahydrofuran; 2-ethoxy-ethanol; ethanol; dichloromethane; water; isopropyl alcohol;

Reference yield:

methyl 2-phenylpyridine-3-carboxylate (188797-88-8) → C56H48IrN3

Guidance literature:

Multi-step reaction with 3 steps

1: tetrahydrofuran / 0 °C

2: boron trifluoride diethyl etherate / dichloromethane / 24 h / Inert atmosphere

3: ethanol / Reflux; Inert atmosphere

With boron trifluoride diethyl etherate; In tetrahydrofuran; ethanol; dichloromethane;

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