4-[3-(Dimethylamino)propoxy]aniline

Base Information

• Chemical Name: 4-[3-(Dimethylamino)propoxy]aniline
• CAS No.: 62424-88-8
• Molecular Formula: C11H18N2O
• Molecular Weight: 194.277
• Hs Code.: 2922299090
• European Community (EC) Number: 804-167-8
• DSSTox Substance ID: DTXSID10434872
• Wikidata: Q82249443

Synonyms:62424-88-8;4-[3-(dimethylamino)propoxy]aniline;4-(3-dimethylamino-propoxy)-phenylamine;4-(3-(dimethylamino)propoxy)aniline;4-[3-(N,N-dimethylamino)propoxy]aniline;SCHEMBL188971;DTXSID10434872;MOXSUJYRRRCATL-UHFFFAOYSA-N;4-(3-dimethylaminopropoxy) aniline;AMY27404;MFCD08687611;4-(3-Dimethylaminopropoxy)phenylamine;AKOS009393449;SB37981;4-[3-(dimethylamino)propoxy]benzenamine;4-[3-(Dimethylamino)propoxy]benzeneamine;N,N-dimethyl-3-(4-aminophenoxy)propylamine;BB 0237431;CS-0454302;EN300-72188;F79229;4-(3-dimethylamino-propoxy)-phenylamine, AldrichCPR;Z405627090

Chemical Property of 4-[3-(Dimethylamino)propoxy]aniline

Chemical Property:

• PSA: 38.49000
• LogP: 2.18050
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 194.141913202
• Heavy Atom Count: 14
• Complexity: 142

Purity/Quality:

97% ^*data from raw suppliers

4-[3-(N,N-Dimethylamino)propoxy]aniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-43
• Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CCCOC1=CC=C(C=C1)N

Technology Process of 4-[3-(Dimethylamino)propoxy]aniline

There total 8 articles about 4-[3-(Dimethylamino)propoxy]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: 96.0%

→ N,N-dimethyl-3-(4-aminophenoxy)propylamine (62424-88-8)

Guidance literature:

Reference yield:

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) → N,N-dimethyl-3-(4-aminophenoxy)propylamine (62424-88-8)

Guidance literature:

Multi-step reaction with 3 steps

1: K₂CO₃ / acetonitrile / Heating

2: 1.18 g / K₂CO₃ / acetonitrile / 80 °C

3: 100 percent / H₂ / Pd/C / ethanol / 16 h / 20 °C

With hydrogen; potassium carbonate; palladium on activated charcoal; In ethanol; acetonitrile;

DOI:10.1021/jm060435i

Reference yield:

4-amino-phenol (123-30-8) + 3-(Dimethylamino)propyl chloride (109-54-6) → N,N-dimethyl-3-(4-aminophenoxy)propylamine (62424-88-8)

Guidance literature:

With sodium iodide; Hg; potassium carbonate; In N-methyl-acetamide; hydrogenchloride; toluene;

upstream raw materials:

4-nitro-phenol

1-(3-Chloropropoxy)-4-nitrobenzene

3-(Dimethylamino)propyl chloride

potassium 4-nitrophenolate

Downstream raw materials:

5-[(3,5-dichloro-4-pyridyl)sulfanyl]-N-[4-(3-dimethylamino-propoxy)phenyl]-4-nitrothiophene-2-carboxamide

4-cyano-5-[(3,5-dichloropyridin-4-yl)thio]-N-{4-[3-(dimethylamino)propoxy]phenyl} thiophene-2-carboxamide

C₂₈H₃₀N₆O₃

C₂₀H₂₇N₃O₂

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