4-Benzoylpyridine

Base Information

• Chemical Name: 4-Benzoylpyridine
• CAS No.: 14548-46-0
• Molecular Formula: C12H9NO
• Molecular Weight: 183.21
• Hs Code.: 29333999
• European Community (EC) Number: 238-586-7
• NSC Number: 9488
• UNII: 524YQ3O21T
• DSSTox Substance ID: DTXSID6022262
• Nikkaji Number: J15.003G
• Wikidata: Q27260957
• ChEMBL ID: CHEMBL1446524
• Mol file: 14548-46-0.mol

Synonyms:4-benzoylpyridine;phenyl(4-pyridinyl)methanone

Chemical Property of 4-Benzoylpyridine

Chemical Property:

• Appearance/Colour: Light yellow crystalline powder or cryst. chunks
• Vapor Pressure: 0.000349mmHg at 25°C
• Melting Point: 68-72 °C
• Refractive Index: 1.588
• Boiling Point: 319 °C at 760 mmHg
• PKA: 3.14±0.10(Predicted)
• Flash Point: 154.7 °C
• PSA: 29.96000
• Density: 1.139 g/cm³
• LogP: 2.31260
• Solubility.: soluble in Methanol
• Water Solubility.: insoluble
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 183.068413911
• Heavy Atom Count: 14
• Complexity: 191

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Benzoylpyridine >99.0%(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: S24/25:

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Pyridines
• Canonical SMILES: C1=CC=C(C=C1)C(=O)C2=CC=NC=C2
• Uses: Organic synthesis.

Technology Process of 4-Benzoylpyridine

There total 73 articles about 4-Benzoylpyridine 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: 100.0%

(1-oxidopyridin-4-yl) (phenyl)methanone (14178-29-1) → 4-Benzoylpyridine (14548-46-0)

Guidance literature:

With phosphorus trichloride; In chloroform; at 0 - 80 ℃; for 1.16667h;

DOI:10.1002/adsc.201700588

Reference yield: 99.0%

4-benzyl pyridine (2116-65-6) → 4-Benzoylpyridine (14548-46-0)

Guidance literature:

With tert.-butylnitrite; oxygen; acetic acid; 2,3-dicyano-5,6-dichloro-p-benzoquinone; In 1,1,2,2-tetrachloroethane; at 150 ℃; for 12h; Autoclave;

DOI:10.1016/j.tet.2015.07.042

Reference yield: 98.0%

(phenyl)(4-pyridyl)methanol acetate (24929-18-8) → 4-Benzoylpyridine (14548-46-0)

Guidance literature:

With tert.-butylnitrite; oxygen; 2,3-dicyano-5,6-dichloro-p-benzoquinone; In 1,1,2,2-tetrachloroethane; at 130 ℃; for 4h; under 2250.23 Torr; Autoclave;

upstream raw materials:

4-lithiopyridine

benzonitrile

4-benzyl pyridine

4-benzoylpyridine-3-carboxylic acid

Downstream raw materials:

6-benzoyl-4ξ,9ξ-diphenyl-4ξ,9ξ-di-pyridin-4-yl-(1rH,2tH,5tH,7cH)-3,8-dioxa-6-aza-tricyclo[5.2.0.0^2,5]nonane

(E)-4-pyridylphenyl ketoxime

(Z)-4-pyridylphenyl ketoxime

1,1-dimethylethyl (α-4-pyridinylbenzylidene)carbazate

Refernces

• 1、 Stevens et al.. "-". . p. 1724. Retrieved 1957.
• 2、 Traynelis,Yamauchi. "-". . p. 3619. Retrieved 1969.
• 3、 Ren, Lanhui,Wang, Lianyue,Lü, Ying,Li, Guosong,Gao, Shuang. "Direct oxidation of the Csp3–H bonds of N-heterocyclic compounds to give the corresponding ketones using a reusable heterogeneous MnOx-N@C catalyst". . p. 1216 - 1221. Retrieved 2016.
• 4、 Cheng, Mingming,Bakac, Andreja. "Kinetics and mechanism of the reaction of Cr(II) aqua ions with benzoylpyridine N-oxide". . p. 2077 - 2082. Retrieved 2007.
• 5、 Li, Zhibin,Zhang, Yan,Li, Kuiliang,Zhou, Zhenghong,Zha, Zhenggen,Wang, Zhiyong. "Selective electrochemical oxidation of aromatic hydrocarbons and preparation of mono/multi-carbonyl compounds". . p. 2134 - 2141. Retrieved 2021/09/29.
• 6、 Gupta, Shyam Sunder R.,Lakshmi Kantam, Mannepalli. "Finely dispersed CuO on nitrogen-doped carbon hollow nanospheres for selective oxidation of sp3C-H bonds". . p. 16179 - 16186. Retrieved 2021/09/22.