1-Ethyl-4-(methoxycarbonyl)pyridinium iodide

Base Information

• Chemical Name: 1-Ethyl-4-(methoxycarbonyl)pyridinium iodide
• CAS No.: 1199-65-1
• Molecular Formula: C₉H₁₂NO₂*I
• Molecular Weight: 293.104
• Hs Code.: 2933399090
• European Community (EC) Number: 624-777-6
• NSC Number: 53229,41724
• DSSTox Substance ID: DTXSID30883666
• Mol file: 1199-65-1.mol

Synonyms:1199-65-1;1-Ethyl-4-(methoxycarbonyl)pyridinium iodide;1-ETHYL-4-METHOXYCARBONYLPYRIDINIUM IODIDE;1-ethyl-4-(methoxycarbonyl)pyridin-1-ium iodide;1-Ethyl-4-carbomethoxypyridinium iodide;Pyridinium, 1-ethyl-4-(methoxycarbonyl)-, iodide (1:1);NSC 41724;methyl 1-ethylpyridin-1-ium-4-carboxylate;iodide;N-Ethyl-4-carbomethoxypyridinium iodide;Pyridinium, 1-ethyl-4-(methoxycarbonyl)-, iodide;NSC 53229;Pyridinium, 4-carboxy-1-ethyl-, iodide, methyl ester;4-Carbomethoxy-1-ethylpyridinium Iodide;C9H12NO2.I;SCHEMBL4873050;DTXSID30883666;NSC41724;NSC53229;MFCD00011996;NSC-41724;NSC-53229;AKOS015833266;AS-69572;CS-0329353;E0362;FT-0607759;1-ethyl-4-(methoxycarbonyl)pyridin-1-iumiodide;D90496;A804401;1-Ethyl-4-(methoxycarbonyl)pyridinium iodide, 97%;J-004224

Chemical Property of 1-Ethyl-4-(methoxycarbonyl)pyridinium iodide

Chemical Property:

• Appearance/Colour: orange crystalline powder
• Melting Point: 114 - 116 C
• PSA: 30.18000
• LogP: -2.21540
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 292.99128
• Heavy Atom Count: 13
• Complexity: 151

Purity/Quality:

98% ^*data from raw suppliers

1-Ethyl-4-(methoxycarbonyl)pyridinium Iodide >97.0%(T) ^*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: CC[N+]1=CC=C(C=C1)C(=O)OC.[I-]
• Uses: 1-Ethyl-4-(methoxycarbonyl)pyridinium iodide was employed as probe for micropolarity determinations. It was also used in preparation of 1-ethyl-4-(methoxycarbonyl)pyridinium tetrakis(4-phenoxyphenyl)borate.

Technology Process of 1-Ethyl-4-(methoxycarbonyl)pyridinium iodide

There total 2 articles about 1-Ethyl-4-(methoxycarbonyl)pyridinium iodide 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: 92.0%

4-pyridinecarboxylic acid, methyl ester (2459-09-8) + ethyl iodide (75-03-6) → 1-ethyl-4-(methoxycarbonyl)pyridinium iodide (1199-65-1)

Guidance literature:

at 5 ℃;

Reference yield:

→ 1-ethyl-4-(methoxycarbonyl)pyridinium iodide (1199-65-1)

Guidance literature:

2-CO2Me-Pyridin, EtI (s. ref. 4);

Reference yield:

1-ethyl-4-(methoxycarbonyl)pyridinium iodide (1199-65-1) + (hex-1-yn-1-yloxy)triisopropylsilane (192936-87-1) → C24H41NO3Si

Guidance literature:

With silver benzoate; In dichloromethane; at 20 ℃; for 2h; Reagent/catalyst; regioselective reaction; Inert atmosphere;

DOI:10.1002/adsc.201300443

upstream raw materials:

4-pyridinecarboxylic acid, methyl ester

ethyl iodide

Downstream raw materials:

1-ethyl-piperidine-4-carboxylic acid methyl ester