Nicotinoyl chloride

Base Information

• Chemical Name: Nicotinoyl chloride
• CAS No.: 10400-19-8
• Molecular Formula: C6H4ClNO
• Molecular Weight: 141.557
• Hs Code.: 2933399090
• European Community (EC) Number: 233-863-9
• UNII: 7Y3X2E4XUG
• DSSTox Substance ID: DTXSID40146214
• Nikkaji Number: J39.100J
• Wikidata: Q72503815
• Mol file: 10400-19-8.mol

Synonyms:Nicotinoyl chloride;10400-19-8;pyridine-3-carbonyl chloride;3-Pyridinecarbonyl chloride;nicotinyl chloride hydrochloride;nicotinoylchloride;3-pyridylcarbonyl chloride;7Y3X2E4XUG;NICOTINIC ACID CHLORIDE;EINECS 233-863-9;Nicotinylchloride;nicotinic chloride;Nicotinoyl chloride #;UNII-7Y3X2E4XUG;SCHEMBL1414;3-?Pyridinecarbonyl chloride;AMY726;pyridine-3-carbonyl hydrochloride;DTXSID40146214;BBL012969;MFCD00464814;STL163854;AKOS005714805;FT-0657538;F86430;10D-554;A800873

Chemical Property of Nicotinoyl chloride

Chemical Property:

• Vapor Pressure: 0.149mmHg at 25°C
• Melting Point: 149-155 °C
• Refractive Index: 1.547
• Boiling Point: 215.3 °C at 760 mmHg
• PKA: 2.63±0.10(Predicted)
• Flash Point: 84 °C
• PSA: 29.96000
• Density: 1.297 g/cm³
• LogP: 2.26260
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 140.9981414
• Heavy Atom Count: 9
• Complexity: 116

Purity/Quality:

99% ^*data from raw suppliers

NicotinylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-27-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CN=C1)C(=O)Cl
• Uses: Nicotinyl Chloride can be used to treat hyperthyroidism.

Technology Process of Nicotinoyl chloride

There total 15 articles about Nicotinoyl chloride 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) → 3-pyridinecarbonyl chloride (10400-19-8)

Guidance literature:

With thionyl chloride; for 5h; Reflux;

DOI:10.1007/s10870-010-9981-6

Reference yield: 80.0%

sodium nicotinate (54-86-4) → 3-pyridinecarbonyl chloride (10400-19-8)

Guidance literature:

With thionyl chloride; for 2.5h; Heating;

Reference yield:

nicotinic acid (59-67-6) → 3-pyridinecarbonyl chloride (10400-19-8) + 3-trichloromethyl-pyridine (3099-50-1)

Guidance literature:

nicotinic acid; With thionyl chloride; at 55 ℃; for 0.25h;

With chlorine; phosphorus trichloride; at 150 ℃; for 1h;

upstream raw materials:

pyridine-3-carbonyl chloride hydrochloride

nicotinic acid

sodium nicotinate

potassium nicotinate

Downstream raw materials:

3-Hydroxyacetylpyridine

N-(pyridin-3-yl)pyridine-3-carboxamide

N-(2-pyrimidyl)nicotinamide

3-(4-methoxybenzoyl)pyridine

Refernces

• 1、 Douglass,Forman. "-". . p. 1609. Retrieved 1934.
• 2、 Wu, Gang,Jiang, Xiaohui,Zhou, Limei,Yang, Lijun,Wang, Ya,Xia, Guangqiang,Chen, Zhengjun,Duan, Ming. "The bilateral action between EQ14-2-14 gemini surfactant and bovine serum albumin by DPI and 1H NMR". . p. 47 - 54. Retrieved 2013.
• 3、 Priya,Basappa,Swamy, S. Nanjunda,Rangappa, Kanchugarakoppal S.. "Synthesis and characterization of novel 6-fluoro-4-piperidinyl-1,2- benzisoxazole amides and 6-fluoro-chroman-2-carboxamides: Antimicrobial studies". . p. 2623 - 2628. Retrieved 2005.
• 4、 Jang, Doo Ok,Cho, Dae Hyan,Kim, Joong-Gon. "One-pot preparation of esters from carboxylic acids using the PPh3-CCl3CN system". . p. 2885 - 2890. Retrieved 2003.
• 5、 Abu Farha, Rana,Bustanji, Yasser,Al-Hiari, Yusuf,Al-Qirim, Tariq,Abu Shiekha, Ghassan,Albashiti, Rabab. "Lipid lowering activity of novel N-(benzoylphenyl)pyridine-3-carboxamide derivatives in Triton WR-1339-induced hyperlipidemic rats". . p. 138 - 144. Retrieved 2016.
• 6、 Bodor,Farag. "Improved delivery through biological membranes XIV: Brain-specific, sustained delivery of testosterone using a redox chemical delivery system". . p. 385 - 389. Retrieved 1984.
• 7、 Shan, Guang-Zhi,Peng, Zong-Gen,Li, Yu-Huan,Li, Dong,Li, Yan-Ping,Meng, Shuai,Gao, Lin-Yan,Jiang, Jian-Dong,Li, Zhuo-Rong. "A novel class of geldanamycin derivatives as HCV replication inhibitors targeting on Hsp90: Synthesis, structure-activity relationships and anti-HCV activity in GS4.3 replicon cells". . p. 177 - 182. Retrieved 2011.
• 8、 Lu, Xiaoyun,Hu, Xianglong,Liu, Zhiyong,Zhang, Tianyu,Wang, Ruibing,Wan, Baojie,Franzblau, Scott G.,You, Qidong. "Benzylsulfanyl benzo-heterocycle amides and hydrazones as new agents against drug-susceptible and resistant: Mycobacterium tuberculosis". . p. 1303 - 1306. Retrieved 2017.
• 9、 Li, Ya-Meng,Yu, Ya-Hui,Peng, Yu-Han,Wu, Ben-Lai,Zhang, Hong-Yun. "A tetragonal molecular cage and polymeric macrocyclic complex based on a clip-like bis-pyridyl-bis-amide ligand". . p. 2771 - 2779. Retrieved 2012.
• 10、 Fedorov,Golovina,Fadeev,Eremeev,Arakcheeva,Strukov,Kedrov,Shilov,Trofimova,Atovmyan. "Synthesis and crystal structure of 2-nitroxyethyl nicotinate and its complex with PdCl2". . p. 510 - 513. Retrieved 1998.