1-(Cyanomethyl)pyridinium chloride

Base Information

• Chemical Name: 1-(Cyanomethyl)pyridinium chloride
• CAS No.: 17281-59-3
• Molecular Formula: C7H7 N2 . Cl
• Molecular Weight: 154.599
• Hs Code.: 29333999
• European Community (EC) Number: 241-312-9
• NSC Number: 296121
• DSSTox Substance ID: DTXSID60938214
• Mol file: 17281-59-3.mol

Synonyms:17281-59-3;1-(Cyanomethyl)pyridinium chloride;N-(CYANOMETHYL)PYRIDINIUM CHLORIDE;1-(cyanomethyl)pyridin-1-ium chloride;2-pyridin-1-ium-1-ylacetonitrile;chloride;EINECS 241-312-9;C7H7N2.Cl;cyanomethylpyridinium chloride;C7-H7-N2.Cl;SCHEMBL2207314;DTXSID60938214;MFCD00031933;NSC296121;1-(cyanomethyl)pyridin-1-iumchloride;AKOS015833112;NSC 296121;NSC-296121;SB52298;1-(Cyanomethyl)pyridinium chloride, 97%;BS-53188;CS-0196859;FT-0629274;D89308;A811447;J-010851

Chemical Property of 1-(Cyanomethyl)pyridinium chloride

Chemical Property:

• Appearance/Colour: beige crystalline powder
• Melting Point: 167-170 °C(lit.)
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 27.67000
• Density: g/cm³
• LogP: -2.49832
• Water Solubility.: Soluble in water
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 154.0297759
• Heavy Atom Count: 10
• Complexity: 116

Purity/Quality:

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

N-(Cyanomethyl)pyridiniumChloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=[N+](C=C1)CC#N.[Cl-]

Technology Process of 1-(Cyanomethyl)pyridinium chloride

There total 1 articles about 1-(Cyanomethyl)pyridinium 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: 85.2%

pyridine (110-86-1) + chloroacetonitrile (107-14-2) → 2-pyridin-1-ium-1-ylacetonitrile chloride (17281-59-3)

Guidance literature:

In acetonitrile; for 7.5h; Reflux;

DOI:10.1016/j.tet.2010.04.059

Reference yield: 89.0%

carbon disulfide (75-15-0,12122-00-8) + 2-pyridin-1-ium-1-ylacetonitrile chloride (17281-59-3) + 4-chlorobenzoylmethyl bromide (536-38-9) → 3-amino-2-(4-chlorobenzoyl)-4-(1-pyridinio)thiophene-5-thiolate (1268449-61-1)

Guidance literature:

carbon disulfide; 2-pyridin-1-ium-1-ylacetonitrile chloride; With sodium hydroxide; In ethanol; water; for 0.333333h; Cooling with ice;

4-chlorobenzoylmethyl bromide; In ethanol; water; at 20 ℃; for 4h;

at 60 - 80 ℃; under 3 Torr; neat (no solvent);

DOI:10.1248/cpb.58.1502

Reference yield: 87.0%

carbon disulfide (75-15-0,12122-00-8) + 2-pyridin-1-ium-1-ylacetonitrile chloride (17281-59-3) + α-bromoacetophenone (70-11-1) → 4-Amino-5-benzoyl-3-(1-pyridinio)-thiophen-2-thiolat (65172-25-0)

Guidance literature:

carbon disulfide; 2-pyridin-1-ium-1-ylacetonitrile chloride; With sodium hydroxide; In ethanol; water; for 0.333333h; Cooling with ice;

α-bromoacetophenone; In ethanol; water; at 20 ℃; for 4h;

at 60 - 80 ℃; under 3 Torr; neat (no solvent);

DOI:10.1248/cpb.58.1502

upstream raw materials:

pyridine

chloroacetonitrile

Downstream raw materials:

1-(1-cyano-2-oxo-2-phenyl-ethyl)-pyridinium betaine

1-N-Phenylcarbamoyl-1-cyanopyridinium ylid

E-<1-(1-Cyano-2-phenylamino-2-thio-)>ethylen-pyridiniumylid

Z-<1-(1-Cyano-2-phenylamino-2-thio-)>ethylen-pyridiniumylid

Refernces

• 1、 Ghalehshahi, Hajar G.,Balalaie, Saeed,Sohbati, Hamid R.,Azizian, Homa,Alavijeh, Mohammad S.. "Synthesis, CYP 450 evaluation, and docking simulation of novel 4-aminopyridine and coumarin derivatives". . . Retrieved 2019/01/21.
• 2、 Yang, Yiwen,Kuang, Chunxiang,Jin, Hui,Yang, Qing. "Convenient synthesis of 2-aryl-1-haloindolizines from pyridinium salts and 2-aryl-1,1-dihaloalk-1-enes". supporting information; experimental part. p. 3447 - 3452. Retrieved 2011/12/04.