Carbamic acid, phenyl-, 2-(trimethylammonio)ethyl ester, iodide

Base Information

• Chemical Name: Carbamic acid, phenyl-, 2-(trimethylammonio)ethyl ester, iodide
• CAS No.: 4498-44-6
• Molecular Formula: C₁₂H₁₉N₂O₂*I
• Molecular Weight: 350.2
• Mol file: 4498-44-6.mol

Synonyms:Carbamic acid, phenyl-, 2-(trimethylammonio)ethyl ester, iodide;Ammonium, (2-(N-phenylcarbamoyloxy)ethyl)trimethyl-, iodide;Carbamic acid, N-phenyl-, 2-dimethylaminoethyl ester, methiodide;AMMONIUM, (2-HYDROXYETHYL)TRIMETHYL-, IODIDE, PHENYLCARBAMATE;4498-44-6;Choline, iodide, carbanilate;LS-18292;Ethanaminium, N,N,N-trimethyl-2-[[(phenylamino)carbonyl]oxy]-, iodide

Chemical Property of Carbamic acid, phenyl-, 2-(trimethylammonio)ethyl ester, iodide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 350.04913
• Heavy Atom Count: 17
• Complexity: 218

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+](C)(C)CCOC(=O)NC1=CC=CC=C1.[I-]

Technology Process of Carbamic acid, phenyl-, 2-(trimethylammonio)ethyl ester, iodide

There total 4 articles about Carbamic acid, phenyl-, 2-(trimethylammonio)ethyl ester, 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: 48.2%

DMAE phenylcarbamate (3738-98-5) + methyl iodide (74-88-4) → Phenylcarbamylcholine iodide (4498-44-6)

Guidance literature:

In acetone; at 20 ℃; for 12h;

DOI:10.1016/j.bmc.2004.06.041

Reference yield:

1-chloro-2-phenylcarbamoyloxy-ethane (3747-48-6) → Phenylcarbamylcholine iodide (4498-44-6)

Guidance literature:

Multi-step reaction with 2 steps

1: methanol; sodium iodide

2: acetone

With methanol; acetone; sodium iodide;

DOI:10.1021/ja01853a064

Reference yield:

phenyl-carbamic acid-(2-iodo-ethyl ester) (3747-49-7) + trimethylamine (75-50-3) → Phenylcarbamylcholine iodide (4498-44-6)

Guidance literature:

With acetone;

DOI:10.1021/ja01853a064

upstream raw materials:

phenyl-carbamic acid-(2-iodo-ethyl ester)

trimethylamine

DMAE phenylcarbamate

methyl iodide