2-Benzoyl-6-methylpyridine

Base Information

• Chemical Name: 2-Benzoyl-6-methylpyridine
• CAS No.: 18103-78-1
• Molecular Formula: C13H11NO
• Molecular Weight: 197.236
• DSSTox Substance ID: DTXSID101288717
• Nikkaji Number: J2.408.688G
• Mol file: 18103-78-1.mol

Synonyms:2-Benzoyl-6-methylpyridine;18103-78-1;(6-Methylpyridin-2-yl)(phenyl)methanone;(6-methylpyridin-2-yl)-phenylmethanone;MFCD13152566;6-benzoyl-2-methylpyridine;SCHEMBL11454469;SHMYHLPOXXODBO-UHFFFAOYSA-N;DTXSID101288717;(6-Methyl-2-pyridinyl)phenylmethanone;AKOS012863729;SB54411;(6-methyl-2-pyridinyl)(phenyl)methanone

Chemical Property of 2-Benzoyl-6-methylpyridine

Chemical Property:

• Boiling Point: 100-104 °C(Press: 0.1 Torr)
• PSA: 29.96000
• Density: 1.113±0.06 g/cm3(Predicted)
• LogP: 2.62100
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 197.084063974
• Heavy Atom Count: 15
• Complexity: 221

Purity/Quality:

95% ^*data from raw suppliers

2-Benzoyl-6-methylpyridine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC(=CC=C1)C(=O)C2=CC=CC=C2

Technology Process of 2-Benzoyl-6-methylpyridine

There total 19 articles about 2-Benzoyl-6-methylpyridine 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: 99.0%

2-(α-hydroxybenzyl)-6-methylpyridine (5583-23-3) → (6-methylpyridin-2-yl)(phenyl)methanone (18103-78-1)

Guidance literature:

With manganese(IV) oxide; In dichloromethane; at 20 ℃; for 24h;

DOI:10.1039/d1dt02929k

Reference yield: 86.0%

(6-Methyl-pyridin-2-yl)-phenyl-acetonitrile (77252-97-2) → (6-methylpyridin-2-yl)(phenyl)methanone (18103-78-1)

Guidance literature:

With sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; oxygen; In dimethyl sulfoxide; for 1.5h;

DOI:10.1055/s-1980-29301

Reference yield: 77.0%

(Z)-2-(1,2-diphenylvinyl)-6-methylpyridine → (6-methylpyridin-2-yl)(phenyl)methanone (18103-78-1)

Guidance literature:

With air; In methanol; at 20 ℃; for 20h; Irradiation;

DOI:10.1039/d1gc00716e

upstream raw materials:

(6-Methyl-pyridin-2-yl)-phenyl-acetonitrile

2,6-Dibromopyridine

N-methoxy-N-methylbenzamide

methyl iodide

Downstream raw materials:

[1-(6-Methyl-pyridin-2-yl)-1-phenyl-meth-(E)-ylidene]-((S)-1-phenyl-ethyl)-amine

2-methyl-6-[3-(6-methylpyridin-2-yl)-1,3-diphenylpropa-1,2-dienyl]pyridine

Refernces

• 1、 Chen, Hua,Fu, Haiyan,Ge, Yicen,Li, Ruixiang,Li, Shun,Li, Wenjing,Luo, Lihua,Xu, Jiaqi,Yuan, Maolin,Zheng, Xueli. "Visible-light-initiated catalyst-free oxidative cleavage of (Z)-triaryl-substituted alkenes containing pyridyl motif under ambient conditions". supporting information. p. 3649 - 3655. Retrieved 2021/06/06.
• 2、 Zhong, Jing,Long, Yang,Yan, Xufei,He, Shiyu,Ye, Runyou,Xiang, Haifeng,Zhou, Xiangge. "Rhodium-Catalyzed Pyridine N-Oxide Assisted Suzuki-Miyaura Coupling Reaction via C(O)-C Bond Activation". supporting information. p. 9790 - 9794. Retrieved 2019/12/24.