4-Methoxy-3,5-dimethylaniline

Base Information

• Chemical Name: 4-Methoxy-3,5-dimethylaniline
• CAS No.: 39785-37-0
• Molecular Formula: C9H13 N O
• Molecular Weight: 151.208
• Hs Code.: 2922299090
• European Community (EC) Number: 642-651-9
• DSSTox Substance ID: DTXSID70400154
• Nikkaji Number: J3.601.163G
• Wikidata: Q82202993
• Mol file: 39785-37-0.mol

Synonyms:4-methoxy-3,5-dimethylaniline;39785-37-0;4-Amino-2,6-dimethylanisole;(4-Methoxy-3,5-dimethylphenyl)amine;3,5-dimethyl-4-methoxyaniline;Benzenamine, 4-methoxy-3,5-dimethyl-;MFCD01907075;4-Methoxy-3,5-dimethyl-benzenamine;2,6-Dimethyl-4-aminoanisole;4-methoxy-3,5-dimethyl-aniline;4-methoxy-3,5-dimethylphenylamine;2,6-dimethyl-p-anisidine;Oprea1_709534;SCHEMBL655455;DTXSID70400154;STK734323;AKOS003269276;AC-8730;SB75826;NCGC00339283-01;AS-43958;CS-0153712;FT-0655790;J3.601.163G;EN300-193663;AB01331824-02;A824732;AE-562/40362370;Z57479387

Chemical Property of 4-Methoxy-3,5-dimethylaniline

Chemical Property:

• Vapor Pressure: 0.0201mmHg at 25°C
• Melting Point: 62-65℃
• Boiling Point: 251.8oC at 760 mmHg
• Flash Point: 108.6oC
• PSA: 35.25000
• Density: 1.019g/cm3
• LogP: 2.47540
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 151.099714038
• Heavy Atom Count: 11
• Complexity: 115

Purity/Quality:

98%Min ^*data from raw suppliers

4-Methoxy-3,5-dimethylaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1OC)C)N
• Uses: 4-Methoxy-3,5-dimethylaniline is a useful research chemical.

Technology Process of 4-Methoxy-3,5-dimethylaniline

There total 9 articles about 4-Methoxy-3,5-dimethylaniline 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: 99.0%

2,6-dimethyl-4-nitroanisole (14804-39-8) → 4-amino-2,6-dimethylanisole (39785-37-0)

Guidance literature:

With hydrogenchloride; acetic acid; zinc; In water; ethyl acetate; at 0 - 20 ℃; for 4h;

DOI:10.1021/acs.orglett.8b00553

Reference yield: 77.0%

5-bromo-2-methoxy-1,3-dimethylbenzene (14804-38-7) → 4-amino-2,6-dimethylanisole (39785-37-0)

Guidance literature:

5-bromo-2-methoxy-1,3-dimethylbenzene; With magnesium; In tetrahydrofuran; Inert atmosphere;

With C₁₀H₁₇NO; In tetrahydrofuran; toluene; at -78 ℃; for 2h; Inert atmosphere;

With ammonium chloride; In tetrahydrofuran; water; toluene; Inert atmosphere;

DOI:10.1038/nchem.2672

Reference yield: 77.0%

→ 4-amino-2,6-dimethylanisole (39785-37-0)

Guidance literature:

With magnesium; ethylene dibromide; In tetrahydrofuran; Inert atmosphere;

With C₁₀H₁₇NO; In tetrahydrofuran; toluene; at -78 ℃; for 2h; Inert atmosphere;

upstream raw materials:

2,6-dimethyl-4-nitroanisole

2-methoxy-1,3-dimethylbenzene

2,6-dimethyl-4-nitro phenol

2.6-dimethylphenol

Downstream raw materials:

N-Pivaloyl-4-amino-2,6-dimethylanisole

2,2-dimethylpropionamide

Refernces

• 1、 Khan, Taukeer A.,Tietze, Lutz F.. "Synthesis of a poly-heterocyclic tetra-substituted alkene via a palladium-catalyzed four-fold domino reaction for the design of polymeric molecular switches". . p. 1183 - 1195. Retrieved 2019/07/31.
• 2、 -. "AMINATION AND HYDROXYLATION OF ARYLMETAL COMPOUNDS". Paragraph 0098; 0134; 0135; 0172. . Retrieved 2018/03/25.