Nicotinoyl chloride hydrochloride

Base Information

• Chemical Name: Nicotinoyl chloride hydrochloride
• CAS No.: 20260-53-1
• Molecular Formula: C6H4ClNO.ClH
• Molecular Weight: 178.018
• Hs Code.: 29333990
• European Community (EC) Number: 243-648-1
• DSSTox Substance ID: DTXSID0066583
• Mol file: 20260-53-1.mol

Synonyms:Nicotinoyl chloride hydrochloride;20260-53-1;nicotinoyl chloride HCl;pyridine-3-carbonyl chloride hydrochloride;Nicotinoyl chloride, hydrochloride;3-Pyridinecarbonyl chloride, hydrochloride;Nicotinic Acid Chloride Hydrochloride;20060-53-1;C6H5Cl2NO;EINECS 243-648-1;NICOTINOYLCHLORIDEHYDROCHLORIDE;3-pyridinecarbonyl chloride hydrochloride;pyridine-3-carbonyl chloride;hydrochloride;3-Pyridinecarbonyl chloride, hydrochloride (1:1);MFCD00012820;Nicotinoylchloride hydrochloride;TOLMETINSODIUM;C6H4ClNO.ClH;nicotinoyl chloride.HCl;nicotinoyl chloride HCl salt;SCHEMBL61214;nicotinic chloride hydrochloride;nicotinoyl chloride-hydrochloride;nicotinoyl chloride.hydrochloride;DTXSID0066583;nicotinoylchloride hydrochloride salt;hydrochloride nicotinic acid chloride;nicotinic chloride mono-hydrochloride;nicotinoyl chloride hydrochloric acid;ZB0636;AKOS007929993;Nicotinoyl chloride hydrochloride, 97%;pyridine-3-carbonylchloride hydrochloride;3-pyridinylcarbonyl chloride hydrochloride;AC-24914;AS-47836;BP-12512;pyridine-3 carbonyl chloride hydrochloride;FT-0637963;N0091;EN300-53850;F16330;A814363;J-013158;F2190-0155

Chemical Property of Nicotinoyl chloride hydrochloride

Chemical Property:

• Appearance/Colour: white to off-white crystalline powder
• Vapor Pressure: 0.149mmHg at 25°C
• Melting Point: 151-157 °C(lit.)
• Boiling Point: 215.3 °C at 760 mmHg
• Flash Point: 84 °C
• PSA: 29.96000
• Density: 1.297g/cm3
• LogP: 2.26260
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Sensitive.: Moisture Sensitive
• Water Solubility.: It decomposes in water.
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 176.9748192
• Heavy Atom Count: 10
• Complexity: 116

Purity/Quality:

99%min ^*data from raw suppliers

Nicotinoyl chloride hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-28-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CN=C1)C(=O)Cl.Cl
• Uses: As a Nicotinic Acid analog, Nicotinoyl chloride hydrochloride can be used in the preparation of cardiovascular agents and renal drugs. Nicotinoyl chloride hydrochloride was used in the preparation of 1-[5-O-tert-butyldimethylsilyl-2-deoxy-2-fluoro-3-O-(3-pyridylcarbonyl)-β-D-ribofuranosyl]uracil, bis(ethylenedithio)tetrathiafulvalene derivatives and 7,16-dinicotinoylated or 7,16-diisonicotinoylated compounds via reaction with tetraaza[14]annulene and its complexes. Nicotinoyl chloride hydrochloride was used in the preparation of :1-[5-O-tert-butyldimethylsilyl-2-deoxy-2-fluoro-3-O-(3-pyridylcarbonyl)-β-D-ribofuranosyl]uracil7,16-dinicotinoylated and/or 7,16-diisonicotinoylated compounds via reaction with tetraaza[14]annulene and its complexesbis(ethylenedithio)tetrathiafulvalene derivatives

Technology Process of Nicotinoyl chloride hydrochloride

There total 5 articles about Nicotinoyl 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: 100.0%

nicotinic acid (59-67-6) → pyridine-3-carbonyl chloride hydrochloride (20260-53-1)

Guidance literature:

With thionyl chloride; for 4h; Heating;

DOI:10.1039/b416412a

Reference yield: 90.0%

nicotinic acid hydrochloride (636-79-3) → pyridine-3-carbonyl chloride hydrochloride (20260-53-1)

Guidance literature:

With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; at 20 ℃; for 1h;

Reference yield:

nicotinic acid (59-67-6) → 3-Nicotinoyloxyestra-1,3,5(10)-trien-17-one (Estrone Nicotinate) + pyridine-3-carbonyl chloride hydrochloride (20260-53-1)

Guidance literature:

With thionyl chloride;

upstream raw materials:

nicotinic acid

nicotinic acid hydrochloride

Downstream raw materials:

nicotinic acid isopentyl ester

nicotinic acid-(4-chloro-2-isopropyl-5-methyl-phenyl ester)

(+/-)-nicotinic acid-(1-methyl-2-phenyl-ethylamide)

nicotinic acid-(2-phenyl-propylamide)

Refernces

• 1、 Amat, Mercedes,Coll, M.-Dolors,Llor, Nuria,Escolano, Carmen,Molins, Elies,Miravitlles, Carles,Bosch, Joan. "Asymmetric synthesis of tetracyclic substructures of Strychnos indole alkaloids". . p. 1691 - 1699. Retrieved 2003.
• 2、 Wang, Yong-Tao,Tong, Ming-Liang,Fan, Hai-Hua,Wang, He-Zhou,Chen, Xiao-Ming. "Homochiral crystallization of helical coordination chains bridged by achiral ligands: Can it be controlled by the ligand structure?". . p. 424 - 426. Retrieved 2005.
• 3、 Xiong, Ying,Fan, Yan-Zhong,Xiong, Ying,Wei, Zhang-Wen,Chen, Cheng-Xia,Chen, Sha,Wang, Dawei,Barboiu, Mihail,Jiang, Ji-Jun,Barboiu, Mihail,Su, Cheng-Yong,Su, Cheng-Yong. "Unusual adsorption behaviours and responsive structural dynamics: Via selective gate effects of an hourglass porous metal-organic framework". . p. 37222 - 37231. Retrieved 2019.
• 4、 -. "ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF". Paragraph 0449. . Retrieved 2019/03/17.