Isonicotinimidamide hydrochloride

Base Information

• Chemical Name: Isonicotinimidamide hydrochloride
• CAS No.: 42518-06-9
• Molecular Formula: C₆H₇N₃*ClH
• Molecular Weight: 157.603
• Hs Code.: 29333990
• European Community (EC) Number: 676-809-3,692-231-4
• NSC Number: 18379
• Mol file: 42518-06-9.mol

Synonyms:Isonicotinimidamide hydrochloride;6345-27-3;42518-06-9;Pyridine-4-carboximidamide Hydrochloride;4-Amidinopyridine hydrochloride;Isonicotinamidine hydrochloride;4-AMIDINOPYRIDINIUM CHLORIDE;MFCD00040385;pyridine-4-carboxamidine hydrochloride;4-pyridinecarboximidamide hydrochloride;pyridine-4-carboximidamide;hydrochloride;4-Pyridinecarboximidamide, monohydrochloride;Isonicotinimidamide hydrochloride(1:x);pyridine-4-carboxamidine hcl;SCHEMBL444468;pyridine-4-carboximidamide HCl;Isonicotinamidine, Hydrochloride;SCHEMBL1436116;4-amidino-pyridine hydrochloride;Isonicotinimidamide xhydrochloride;IONKMFGAXKCLMI-UHFFFAOYSA-N;NSC18379;4-pyridinecarboxamidine hydrochloride;Isonicotinimidamidehydrochloride(1:x);NSC-18379;4-pyridine carboxamidine hydrochloride;4-Pyridinecarboximidamide,hydrochloride;AKOS008104921;CS-W016213;PS-8823;pyridine-4-carboxamidine, hydrochloride;CS-10678;SY018012;FT-0617419;4-Pyridinecarboximidamide,hydrochloride (1:?);EN300-42664;2C-040;A825921;J-521553;pyridine-4-carboximidamide hydrochloride, AldrichCPR;F1905-7017;Z444349574;4-AMIDINOPYRIDINEHYDROCHLORIDEPYRIDINE-4-CARBOXIMIDAMIDEHYDROCHLORIDE

Chemical Property of Isonicotinimidamide hydrochloride

Chemical Property:

• Vapor Pressure: 0.0374mmHg at 25°C
• Melting Point: 263oC
• PSA: 62.76000
• LogP: 1.96770
• Storage Temp.: Inert atmosphere,Room Temperature
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 157.0406750
• Heavy Atom Count: 10
• Complexity: 105

Purity/Quality:

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

4-AmidinopyridiniumChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=CC=C1C(=N)N.Cl

Technology Process of Isonicotinimidamide hydrochloride

There total 9 articles about Isonicotinimidamide 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: 76.0%

pyridine-4-carbonitrile (100-48-1) → 4-amidinopyridine hydrochloride (6345-27-3,42518-06-9,61875-64-7)

Guidance literature:

pyridine-4-carbonitrile; With sodium methylate; In methanol; at 20 ℃;

With ammonium chloride; In methanol; for 4h; Reflux;

DOI:10.1016/j.bmcl.2016.06.039

Reference yield: 64.0%

pyridine-4-carboxamidoxime (1594-57-6,849833-58-5) → 4-amidinopyridine hydrochloride (6345-27-3,42518-06-9,61875-64-7)

Guidance literature:

pyridine-4-carboxamidoxime; With acetic anhydride; acetic acid; at 20 ℃; for 0.5h;

With triethylsilane; palladium dichloride; at 70 - 75 ℃; for 2h;

With hydrogenchloride; In ethanol;

DOI:10.1080/00397911.2010.488307

Reference yield:

pyridine-4-carbonitrile (100-48-1) + diethyl ether (60-29-7,927820-24-4) + ammonium chloride → 4-amidinopyridine hydrochloride (6345-27-3,42518-06-9,61875-64-7)

Guidance literature:

With sodium; In methanol;

upstream raw materials:

methyl pyridine-4-carboximidate

pyridine-4-carbonitrile

diethyl ether

pyridine-4-methylimine acid ethyl ester

Downstream raw materials:

4,6-Diamino-5-phenylazo-2-(4-pyridyl)pyrimidine

4-oxo-2-pyridin-4-yl-3,4-dihydro-pyrimidine-5-carboxylic acid ethyl ester

2-(1-benzyl-1,2,3,6-tetrahydro-pyridin-4-yl)-6-phenyl-pyrimidin-4-ol

4,6-dihydroxy-2-(pyridin-4-yl)-5-(p-tolyl)-pyrimidine

Refernces

• 1、 Fujita, Daishi,Yokoyama, Hiroyuki,Ueda, Yoshihiro,Sato, Sota,Fujita, Makoto. "Geometrically restricted intermediates in the self-assembly of an M12L24 cuboctahedral complex". . p. 155 - 158. Retrieved 2015.
• 2、 Che, Chao,Li, Song,Yang, Bo,Xin, Shengchang,Yu, Zhixiong,Shao, Taofeng,Tao, Chuanye,Lin, Shuo,Yang, Zhen. "Synthesis and characterization of Sant-75 derivatives as Hedgehog-pathway inhibitors". scheme or table. p. 841 - 849. Retrieved 2012/07/28.