1-(Carboxymethyl)pyridinium chloride

Base Information

• Chemical Name: 1-(Carboxymethyl)pyridinium chloride
• CAS No.: 6266-23-5
• Deprecated CAS: 205450-88-0,65100-53-0,65100-54-1,65100-54-1
• Molecular Formula: C7H8 N O2 . Cl
• Molecular Weight: 173.599
• European Community (EC) Number: 228-434-8
• NSC Number: 32867
• UNII: 5EPZ2QC0FQ
• DSSTox Substance ID: DTXSID4022238
• Wikidata: Q27261936
• Mol file: 6266-23-5.mol

Synonyms:1-(Carboxymethyl)pyridinium chloride;6266-23-5;Carboxymethylpyridinium chloride;1-(carboxymethyl)pyridin-1-ium chloride;N-Carboxymethylpyridinium chloride;EINECS 228-434-8;UNII-5EPZ2QC0FQ;NSC 32867;5EPZ2QC0FQ;Pyridinium, 1-(carboxymethyl)-, chloride;NSC-32867;1-(CARBOXYMETHYL)PYRIDINIUMCHLORIDE;2-pyridin-1-ium-1-ylacetic acid;chloride;Pyridinium, 1-(carboxymethyl)-, chloride, hydroxide (2:1:1);Pyridinium, 1-(carboxymethyl)-, chloride (1:1);SCHEMBL344009;DTXSID4022238;1-carboxymethyl pyridinium chloride;NSC32867;MFCD00011993;AKOS006229864;1-(carboxymethyl)pyridin-1-iumchloride;PYRIDINE BETAINE MONOHYDROCHLORIDE;Pyridinium, chloride, hydroxide (2:1:1);LS-184954;N-(CARBOXYMETHYL)PYRIDINIUM CHLORIDE;CS-0199189;FT-0690718;D85775;Q27261936

Chemical Property of 1-(Carboxymethyl)pyridinium chloride

Chemical Property:

• Melting Point: 185-189℃
• PSA: 41.18000
• LogP: -2.93730
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 173.0243562
• Heavy Atom Count: 11
• Complexity: 119

Purity/Quality:

99% ^*data from raw suppliers

1-(carboxymethyl)pyridin-1-iumchloride 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(Carboxymethyl)pyridinium chloride

There total 5 articles about 1-(Carboxymethyl)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: 98.0%

pyridine (110-86-1) + chloroacetic acid (79-11-8) → 1-(carboxymethyl)pyridinium chloride (6266-23-5)

Guidance literature:

In ethyl acetate; at 20 ℃; for 3h;

DOI:10.1055/s-2000-8195

Reference yield: 80.0%

pyridine (110-86-1) + chloroacetic acid (79-11-8) → N-carboxymethylpyridinium betaine chloride (6266-23-5)

Guidance literature:

at 60 ℃; for 0.5h;

DOI:10.1016/0022-2860(94)87047-0

Reference yield:

pyridine (110-86-1) + chloroacetic acid ethyl ester (105-39-5) → 1-(carboxymethyl)pyridinium chloride (6266-23-5)

Guidance literature:

pyridine; chloroacetic acid ethyl ester; at 70 ℃; for 24h;

With hydrogenchloride; In water; for 0.5h; Reflux;

DOI:10.1007/s11164-015-2317-6

upstream raw materials:

pyridine

chloroacetic acid

1-(ethoxycarbonylmethyl)pyridinium chloride

chloroacetic acid ethyl ester

Downstream raw materials:

pyridine

piperidinoacetic acid

indolizine-1-carbonitrile

methyl indolizine-1-carboxylate

Refernces

• 1、 Feng, Xue,Tian, Jiaxin,Sun, Ying,Hu, Huayou,Lu, Mingzhu,Kan, Yuhe,Fang, Danjun,Wang, Chao. "Weakly coordinating group directed rhodium-catalyzed unconventional site-selective C–H olefination of indolizines at the 8-position". supporting information. p. 470 - 474. Retrieved 2020/03/19.
• 2、 Teng, Lili,Liu, Xiang,Guo, Pengfeng,Yu, Yue,Cao, Hua. "Visible-Light-Induced Regioselective Dicarbonylation of Indolizines with Oxoaldehydes via Direct C-H Functionalization". supporting information. p. 3841 - 3845. Retrieved 2020/05/08.