N-ethyl-3,4-dimethoxyaniline

Base Information

• Chemical Name: N-ethyl-3,4-dimethoxyaniline
• CAS No.: 32953-13-2
• Molecular Formula: C10H15 N O2
• Molecular Weight: 181.235
• Hs Code.: 2922299090
• DSSTox Substance ID: DTXSID90506884
• Nikkaji Number: J721.270D
• Wikidata: Q82362845
• Mol file: 32953-13-2.mol

Synonyms:N-ethyl-3,4-dimethoxyaniline;32953-13-2;3,4-dimethoxyphenyl-ethylamine;ETHYL-(3,4-DIMETHOXY-PHENYL)-AMINE;tetronicacid;ethyl 3,4-dimethoxyaniline;3,4-dimethoxy-n-ethylaniline;SCHEMBL423387;DTXSID90506884;PEQJBOMPGWYIRO-UHFFFAOYSA-N;AKOS000233074;EN300-32803;Z286407122

Chemical Property of N-ethyl-3,4-dimethoxyaniline

Chemical Property:

• PSA: 30.49000
• LogP: 2.20860
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 181.110278721
• Heavy Atom Count: 13
• Complexity: 141

Purity/Quality:

95 % ^*data from raw suppliers

N-ethyl-3,4-dimethoxyaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCNC1=CC(=C(C=C1)OC)OC
• Uses: N-Ethyl-3,4-dimethoxyaniline is used in preparation of novel fused tetrahydropyridine compounds as HDAC inhibitors useful in treatment and prophylaxis of HDAC-related diseases.

Technology Process of N-ethyl-3,4-dimethoxyaniline

There total 12 articles about N-ethyl-3,4-dimethoxyaniline 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: 90.0%

N-(3,4-dimethoxyphenyl)-N-ethylformamide (893620-50-3) → 3,4-dimethoxy-phenylethylamine (32953-13-2)

Guidance literature:

With hydrogenchloride; for 1.5h; Heating;

DOI:10.1002/jhet.5570450118

Reference yield: 74.0%

3',4'-dimethoxyacetophenone oxime (75906-45-5,75906-46-6,88920-78-9) → 3,4-dimethoxy-phenylethylamine (32953-13-2)

Guidance literature:

With diisobutylaluminium hydride; In dichloromethane; at 0 ℃; for 3h;

DOI:10.1016/S0040-4039(00)86234-6

Reference yield: 51.0%

→ 3,4-dimethoxy-phenylethylamine (32953-13-2)

Guidance literature:

With potassium carbonate; thiophenol; In acetonitrile; at 20 ℃;

upstream raw materials:

ethanol

3,4-dimethoxyaniline

3',4'-dimethoxyacetophenone oxime

N-(3,4-dimethoxyphenyl)benzenesulfonamide

Downstream raw materials:

ethyl-(3,4-dimethoxy-phenyl)-carbamoyl chloride

Diethyl-N-ethyl(3,4-dimethoxyanilino)methylenmalonat

4-(2-ethoxyethoxy)-phenol

2-[(3,4-dimethoxyphenyl)(ethyl)amino]-4H-pyrido[3,2-e][1,3]thiazin-4-one