Methyl 4-(pyridin-2-YL)benzoate

Base Information

• Chemical Name: Methyl 4-(pyridin-2-YL)benzoate
• CAS No.: 98061-21-3
• Molecular Formula: C13H11 N O2
• Molecular Weight: 213.236
• Hs Code.: 2933399990
• DSSTox Substance ID: DTXSID00391768
• Nikkaji Number: J622.837B
• Wikidata: Q82189469
• Mol file: 98061-21-3.mol

Synonyms:METHYL 4-(PYRIDIN-2-YL)BENZOATE;98061-21-3;methyl 4-(2-pyridinyl)benzoate;Methyl 4-pyridin-2-ylbenzoate;4-pyridin-2-yl-benzoic acid methyl ester;SCHEMBL6259;Oprea1_427055;DTXSID00391768;WNUOEXYOJHXGAX-UHFFFAOYSA-N;MFCD00110081;AKOS004117325;METHYL4-(2-PYRIDINYL)BENZOATE;4-(2-Pyridyl)benzoic acid methyl ester;4-(Pyridin-2-yl)-benzoic acid methyl ester;BB 0222814;Benzoic acid,4-(2-pyridinyl)-,methyl ester;CS-0321597;FT-0712094

Chemical Property of Methyl 4-(pyridin-2-YL)benzoate

Chemical Property:

• Melting Point: 97-98 °C
• Boiling Point: 348.8±25.0 °C(Predicted)
• PKA: 3.95±0.25(Predicted)
• PSA: 39.19000
• Density: 1.147±0.06 g/cm3(Predicted)
• LogP: 2.53520
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 213.078978594
• Heavy Atom Count: 16
• Complexity: 234

Purity/Quality:

99% ^*data from raw suppliers

4-Pyridin-2-yl-benzoic acid methyl ester 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC=C(C=C1)C2=CC=CC=N2

Technology Process of Methyl 4-(pyridin-2-YL)benzoate

There total 41 articles about Methyl 4-(pyridin-2-YL)benzoate 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: 96.0%

2-bromo-pyridine (109-04-6) + methyl 4-iodobenzoate (619-44-3) → 4-pyridin-2-yl-benzoic acid methyl ester (98061-21-3)

Guidance literature:

methyl 4-iodobenzoate; With isopropylmagnesium chloride; In tetrahydrofuran; at -40 ℃; for 0.666667h;

2-bromo-pyridine; 1,1'-bis-(diphenylphosphino)ferrocene; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In tetrahydrofuran; at -40 ℃; for 5h;

DOI:10.1016/S0040-4020(02)00411-8

Reference yield: 95.0%

methyl 4-iodobenzoate (619-44-3) + 2-trimethylstannylpyridine (13737-05-8) → [2,2]bipyridinyl (366-18-7) + 4-pyridin-2-yl-benzoic acid methyl ester (98061-21-3)

Guidance literature:

bis-triphenylphosphine-palladium(II) chloride; In tetrahydrofuran; Heating;

DOI:10.1016/S0040-4039(00)84964-3

Reference yield: 95.0%

2-chloropyridine (109-09-1) + methyl 4-iodobenzoate (619-44-3) → 4-pyridin-2-yl-benzoic acid methyl ester (98061-21-3)

Guidance literature:

methyl 4-iodobenzoate; With isopropylmagnesium chloride; In tetrahydrofuran; at -40 ℃; for 0.666667h;

2-chloropyridine; 1,1'-bis-(diphenylphosphino)ferrocene; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In tetrahydrofuran; at -40 ℃; for 5h;

DOI:10.1016/S0040-4020(02)00411-8

upstream raw materials:

4-(pyridin-2-yl)benzoic acid

2-iodopyridine

benzoic acid methyl ester

methyl 4-iodobenzoate

Downstream raw materials:

methyl 3-(benzoyloxy)-4-(pyridin-2-yl)benzoate

5-(methoxycarbonyl)-2-(pyridin-2-yl)-1,3-phenylene dibenzoate

C₁₉H₁₆N₂O₄S

methyl 3-cyano-4-(pyridin-2-yl)benzoate