ISONICOTINOYL CHLORIDE HYDROCHLORIDE

Base Information

• Chemical Name: ISONICOTINOYL CHLORIDE HYDROCHLORIDE
• CAS No.: 39178-35-3
• Molecular Formula: C6H4ClNO^.HCl
• Molecular Weight: 178.018
• Hs Code.: 29333990
• Mol file: 39178-35-3.mol

Synonyms:4-Pyridinecarbonylchloride, hydrochloride (9CI);Isonicotinoyl chloride, hydrochloride (6CI,7CI);(Chlorocarbonyl)-4-(pyridinyl) monohydrochloride;4-(Chloroformyl)pyridiniumhydrochloride;4-Nicotinoyl chloride hydrochloride;4-Pyridinecarboxylic acidchloride hydrochloride;Isonicotinic acid chloride hydrochloride;Isonicotinylchloride hydrochloride;pyridine-4-carbonyl chloride Hydrochloride;

Chemical Property of ISONICOTINOYL CHLORIDE HYDROCHLORIDE

Chemical Property:

• Appearance/Colour: almost white to beige crystalline powder
• Vapor Pressure: 0.0149mmHg at 25°C
• Melting Point: 159-161 °C(lit.)
• Boiling Point: 252.9 °C at 760 mmHg
• Flash Point: 106.8 °C
• PSA: 29.96000
• Density: 1.297g/cm³
• LogP: 2.26260
• Storage Temp.: Store below +30°C.
• Sensitive.: Moisture Sensitive
• Solubility.: methanol: soluble50mg/mL, clear to hazy, colorless to light yell
• Water Solubility.: almost transparency

Purity/Quality:

99%, ^*data from raw suppliers

Pyridine-4-carbonylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Uses: Isonicotinyl Chloride Hydrochloride, is a heterocyclic building block used for the synthesis of various pharmaceutical and biologically active compounds. It can be used for the preparation of Tetrahydropyrroloquinolinone type dual inhibitors of Aromatase/Aldosterone Synthase, as a novel stagey for breast cancer patients with the risk of cardiovascular diseases. Isonicotinoyl chloride hydrochloride was used in the synthesis of 7,16-diisonicotinoyltetraaza[14]annulene.

Technology Process of ISONICOTINOYL CHLORIDE HYDROCHLORIDE

There total 4 articles about ISONICOTINOYL CHLORIDE HYDROCHLORIDE 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%

pyridine-4-carboxylic acid (55-22-1) → isonicotinoyl chloride hydrochloride (39178-35-3)

Guidance literature:

With thionyl chloride; N,N-dimethyl-formamide; at 20 ℃; Reflux;

DOI:10.1039/c0jm03810e

Reference yield:

4-(chlorocarbonyl)pyridine (14254-57-0) → isonicotinoyl chloride hydrochloride (39178-35-3)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran;

DOI:10.1021/op300185s

Reference yield:

4-piperidinecarboxylic acid hydrochloride (37832-54-5,108799-40-2) → isonicotinoyl chloride hydrochloride (39178-35-3)

Guidance literature:

With thionyl chloride; N,N-dimethyl-formamide; Inert atmosphere; Schlenk technique;

DOI:10.1002/aoc.3238

upstream raw materials:

pyridine-4-carboxylic acid

4-(chlorocarbonyl)pyridine

4-piperidinecarboxylic acid hydrochloride

Downstream raw materials:

N-(pyrid-4-yl)isonicotinamide

(3,5-dimethyl-1H-pyrazol-1-yl) (pyridin-4-yl)methanone

4-pyridinecarboxylic acid, methyl ester

N,N'-bis(isonicotinoyl)hydrazine

Refernces

• 1、 Kong, Shengwen,Wang, Xiaodong,Bai, Lu,Song, Ying,Meng, Fanbao. "Multi-arm ionic liquid crystals formed by pyridine-mesophase and copper phthalocyanine". . . Retrieved 2019.
• 2、 Maeda, Takuya,Manabe, Yuki,Yamamoto, Masashi,Yoshida, Munehiro,Okazaki, Kiyo,Nagamune, Hideaki,Kourai, Hiroki. "Synthesis and antimicrobial characteristics of novel biocides, 4,4'- (1,6-hexamethylenedioxydicarbonyl)bis(1-alkylpyridinium iodide)s". . p. 1020 - 1023. Retrieved 1999.
• 3、 Chen, Fengjin,Guo, Jinbao,Qu, Zhijian,Wei, Jie. "Novel photo-polymerizable chiral hydrogen-bonded self-assembled complexes: Preparation, characterization and the utilization as a thermal switching reflective color film". . p. 8574 - 8582. Retrieved 2011.
• 4、 Urai, ákos,Váradi, András,Sz?cs, Levente,Komjáti, Balázs,Le Rouzic, Valerie,Hunkele, Amanda,Pasternak, Gavril W.,Majumdar, Susruta,Hosztafi, Sándor. "Synthesis and pharmacological evaluation of novel selective MOR agonist 6β-pyridinyl amidomorphines exhibiting long-lasting antinociception". supporting information. p. 152 - 157. Retrieved 2017/02/05.