2-(Dimethylamino)ethyl 4-nitrobenzoate

Base Information

• Chemical Name: 2-(Dimethylamino)ethyl 4-nitrobenzoate
• CAS No.: 38152-22-6
• Molecular Formula: C11H14N2O4
• Molecular Weight: 238.243
• DSSTox Substance ID: DTXSID30358263
• Nikkaji Number: J846.260G
• Wikidata: Q82138718
• Mol file: 38152-22-6.mol

Synonyms:2-(dimethylamino)ethyl 4-nitrobenzoate;38152-22-6;4-nitrobenzoic acid 2-(dimethylamino)ethyl ester;SCHEMBL11239974;DTXSID30358263;STL332719;AKOS022110538

Chemical Property of 2-(Dimethylamino)ethyl 4-nitrobenzoate

Chemical Property:

• Melting Point: 58-59 °C
• Boiling Point: 200-202 °C(Press: 1 Torr)
• PSA: 75.36000
• Density: 1?+-.0.06 g/cm3(Predicted)
• LogP: 1.83640
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 238.09535693
• Heavy Atom Count: 17
• Complexity: 267

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(Dimethylamino)ethyl 4-nitrobenzoate

There total 1 articles about 2-(Dimethylamino)ethyl 4-nitrobenzoate 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: 96.9%

2-(N,N-dimethylamino)ethanol (108-01-0) + 4-nitro-benzoyl chloride (122-04-3) → 4-nitrobenzoic acid 2-(dimethylamino)ethyl ester (38152-22-6)

Guidance literature:

In dichloromethane; at 0 ℃; for 2h;

Reference yield: 72.9%

4-nitrobenzoic acid 2-(dimethylamino)ethyl ester (38152-22-6) → Dimethylprocaine (10012-47-2)

Guidance literature:

With iron; acetic acid; at 30 ℃; for 8h;

Reference yield:

4-nitrobenzoic acid 2-(dimethylamino)ethyl ester (38152-22-6) → tetracaine hydrochloride (136-47-0,41585-83-5)

Guidance literature:

Multi-step reaction with 3 steps

1: iron; acetic acid / 8 h / 30 °C

2: potassium carbonate / N,N-dimethyl-formamide / 5 h / 50 °C

3: hydrogenchloride / ethyl acetate; water

With hydrogenchloride; iron; potassium carbonate; acetic acid; In water; ethyl acetate; N,N-dimethyl-formamide;

upstream raw materials:

2-(N,N-dimethylamino)ethanol

4-nitro-benzoyl chloride

Downstream raw materials:

Dimethylprocaine

tetracaine hydrochloride

amethocaine