1-(Ethoxycarbonylmethyl)pyridinium chloride

Base Information

• Chemical Name: 1-(Ethoxycarbonylmethyl)pyridinium chloride
• CAS No.: 27032-03-7
• Molecular Formula: C9H12 N O2 . Cl
• Molecular Weight: 201.653
• Hs Code.: 2933399090
• NSC Number: 163113
• DSSTox Substance ID: DTXSID10456579
• Mol file: 27032-03-7.mol

Synonyms:27032-03-7;1-(ETHOXYCARBONYLMETHYL)PYRIDINIUM CHLORIDE;ethyl 2-pyridin-1-ium-1-ylacetate;chloride;1-(2-ethoxy-2-oxoethyl)pyridin-1-ium chloride;1-(2-ethoxy-2-oxoethyl)pyridinium chloride;starbld0018377;SCHEMBL624259;DTXSID10456579;BKXBKDMTXGKPHE-UHFFFAOYSA-M;NSC163113;AKOS024332166;NSC-163113;N-ethoxycarbonylmethylpyridinium chloride;FT-0638661

Chemical Property of 1-(Ethoxycarbonylmethyl)pyridinium chloride

Chemical Property:

• Melting Point: 124-125 °C(Solv: water (7732-18-5))
• PSA: 30.18000
• LogP: -2.45880
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 201.0556563
• Heavy Atom Count: 13
• Complexity: 142

Purity/Quality:

97% ^*data from raw suppliers

1-(CARBETHOXYMETHYL)-PYRIDINIUM CHLORIDE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C[N+]1=CC=CC=C1.[Cl-]

Technology Process of 1-(Ethoxycarbonylmethyl)pyridinium chloride

There total 3 articles about 1-(Ethoxycarbonylmethyl)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: 58.0%

pyridine (110-86-1) + chloroacetic acid ethyl ester (105-39-5) → 1-(ethoxycarbonylmethyl)pyridinium chloride (27032-03-7)

Guidance literature:

In diethyl ether; at 40 ℃; for 16h; Inert atmosphere;

DOI:10.1002/chem.201403860

Reference yield:

pyridine (110-86-1) + ethyl bromoacetate (105-36-2) → 1-(ethoxycarbonylmethyl)pyridinium chloride (27032-03-7)

Guidance literature:

In acetone; Ambient temperature;

DOI:10.1016/S0040-4020(01)85922-6

Reference yield:

→ 1-(ethoxycarbonylmethyl)pyridinium chloride (27032-03-7)

Guidance literature:

upstream raw materials:

pyridine

chloroacetic acid ethyl ester

ethyl bromoacetate

Downstream raw materials:

pyridinium 1-(2-benzylthio-1-ethoxycarbonyl-2-thioxo)ethanide

1-(carboxymethyl)pyridinium chloride

4-(4-chloro-phenyl)-6-methyl-1H-pyridin-2-one

N-methylpyridinium

Refernces

• 1、 Coe. "-". . p. 882. Retrieved 1959.
• 2、 -. "Acidification corrosion inhibitor based on interpolymer indolizine derivative as well as preparation method and application thereof". Paragraph 0032. . Retrieved 2018/09/12.