3-(Dimethylamino)phenyl dimethylcarbamate

Base Information

• Chemical Name: 3-(Dimethylamino)phenyl dimethylcarbamate
• CAS No.: 16088-19-0
• Molecular Formula: C11H16 N2 O2
• Molecular Weight: 208.26
• Hs Code.: 2924299090
• European Community (EC) Number: 240-240-5
• UNII: M92REH8ZZP
• DSSTox Substance ID: DTXSID40167020
• Nikkaji Number: J29.597C
• Wikidata: Q83036330
• Mol file: 16088-19-0.mol

Synonyms:3-dimethylaminophenol dimethylcarbamate;norneostigmine

Chemical Property of 3-(Dimethylamino)phenyl dimethylcarbamate

Chemical Property:

• Vapor Pressure: 0.00049mmHg at 25°C
• Boiling Point: 313.6°Cat760mmHg
• PKA: 4.10±0.10(Predicted)
• Flash Point: 143.5°C
• PSA: 32.78000
• Density: 1.102g/cm³
• LogP: 1.81300
• Storage Temp.: 2-8°C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 208.121177757
• Heavy Atom Count: 15
• Complexity: 217

Purity/Quality:

97% ^*data from raw suppliers

NorNeostigmine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C1=CC(=CC=C1)OC(=O)N(C)C
• Uses: Nor Neostigmine is a degradation product of Neostigmine (N390010) bromide. Neostigmine impurity.

Technology Process of 3-(Dimethylamino)phenyl dimethylcarbamate

There total 9 articles about 3-(Dimethylamino)phenyl dimethylcarbamate 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: 96.2%

4-nitrophenyl dimethylcarbamate (7244-70-4) + 3-Dimethylaminophenol (99-07-0) → norneostigmine (16088-19-0)

Guidance literature:

3-Dimethylaminophenol; With potassium hydroxide; In toluene; at 90 ℃; for 1h; Reflux;

4-nitrophenyl dimethylcarbamate; In toluene; for 3h; Product distribution / selectivity; Reflux;

Reference yield:

3-Dimethylaminophenol (99-07-0) + N,N-Dimethylcarbamoyl chloride (79-44-7) → norneostigmine (16088-19-0)

Guidance literature:

Reference yield:

N,N-Dimethylcarbamoyl chloride (79-44-7) → norneostigmine (16088-19-0)

Guidance literature:

With diethyl ether;

upstream raw materials:

3-(dimethylamino)phenyl carbonochloridate

dimethyl amine

3-Dimethylaminophenol

N,N-Dimethylcarbamoyl chloride

Downstream raw materials:

N-ethyl-3-dimethylcarbamoyloxy-N,N-dimethyl-anilinium; iodide

3-dimethylcarbamoyloxy-tri-N-methyl-anilinium; iodide

3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl dimethylcarbamate

C₁₆H₁₇N₃