3-Methoxy-4-(2-(pyrrolidin-1-yl)ethoxy)aniline

Base Information

• Chemical Name: 3-Methoxy-4-(2-(pyrrolidin-1-yl)ethoxy)aniline
• CAS No.: 394248-90-9
• Molecular Formula: C13H20N2O2
• Molecular Weight: 236.314
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID00471397
• Wikidata: Q82299897
• Mol file: 394248-90-9.mol

Synonyms:394248-90-9;3-Methoxy-4-(2-(pyrrolidin-1-yl)ethoxy)aniline;3-methoxy-4-[2-(1-pyrrolidinyl)ethoxy]aniline;3-methoxy-4-(2-pyrrolidin-1-yl-ethoxy)-phenylamine;3-methoxy-4-(2-pyrrolidin-1-ylethoxy)aniline;3-METHOXY-4-[2-(PYRROLIDIN-1-YL)ETHOXY]ANILINE;SCHEMBL264641;DTXSID00471397;VBPMITJBSXBGOI-UHFFFAOYSA-N;MFCD09834015;AKOS015994504;SB37002;SS-3647;CS-0332453;FT-0766656;3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenylamine;3-methoxy-4-(2-(pyrrolidin-1-yl)ethoxy)benzenamine;A1-13953

Chemical Property of 3-Methoxy-4-(2-(pyrrolidin-1-yl)ethoxy)aniline

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 389.145oC at 760 mmHg
• Flash Point: 189.148oC
• PSA: 47.72000
• Density: 1.115g/cm3
• LogP: 2.27110
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 236.152477885
• Heavy Atom Count: 17
• Complexity: 220

Purity/Quality:

97%+ ^*data from raw suppliers

3-Methoxy-4-(2-(pyrrolidin-1-yl)ethoxy)aniline 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)N)OCCN2CCCC2

Technology Process of 3-Methoxy-4-(2-(pyrrolidin-1-yl)ethoxy)aniline

There total 7 articles about 3-Methoxy-4-(2-(pyrrolidin-1-yl)ethoxy)aniline 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: 100.0%

1-[2-(2-methoxy-4-nitrophenoxy)ethyl]pyrrolidine (2287-10-7) → 3-methoxy-4-(2-(pyrrolidin-1-yl)ethoxy)aniline (394248-90-9)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; at 20 ℃; for 24h;

DOI:10.1016/j.bmcl.2006.06.056

Reference yield:

1-(2-chloroethyl)pyrrolidine hydrochloride (7250-67-1) → 3-methoxy-4-(2-(pyrrolidin-1-yl)ethoxy)aniline (394248-90-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 81 percent / K₂CO₃ / dimethylformamide; H₂O / 80 °C

2: 95 percent / H₂ / Pd/C / ethanol / 20 °C / 760.05 Torr

With hydrogen; potassium carbonate; palladium on activated charcoal; In ethanol; water; N,N-dimethyl-formamide;

DOI:10.1016/j.bmcl.2007.04.012

Reference yield:

2-methoxy-4-nitrophenol (3251-56-7) → 3-methoxy-4-(2-(pyrrolidin-1-yl)ethoxy)aniline (394248-90-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 81 percent / K₂CO₃ / dimethylformamide; H₂O / 80 °C

2: 95 percent / H₂ / Pd/C / ethanol / 20 °C / 760.05 Torr

With hydrogen; potassium carbonate; palladium on activated charcoal; In ethanol; water; N,N-dimethyl-formamide;

DOI:10.1016/j.bmcl.2007.04.012

upstream raw materials:

1-[2-(2-methoxy-4-nitrophenoxy)ethyl]pyrrolidine

2-methoxy-4-nitrophenol

1-(2-chloroethyl)pyrrolidine hydrochloride

potassium 2-methoxy-4-nitrophenolate monohydrate

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