2,6-DIMETHOXYANILINE

Base Information

• Chemical Name: 2,6-DIMETHOXYANILINE
• CAS No.: 2734-70-5
• Molecular Formula: C8H11 N O2
• Molecular Weight: 153.181
• Hs Code.: 29214200
• European Community (EC) Number: 679-090-4
• NSC Number: 43758
• DSSTox Substance ID: DTXSID50181777
• Nikkaji Number: J175.237E
• Wikidata: Q72467592
• Mol file: 2734-70-5.mol

Synonyms:Aniline,2,6-dimethoxy- (7CI,8CI); 2,6-Dimethoxyaniline; 2,6-Dimethoxybenzenamine; NSC43758

Chemical Property of 2,6-DIMETHOXYANILINE

Chemical Property:

• Appearance/Colour: white crystals
• Vapor Pressure: 0.0181mmHg at 25°C
• Melting Point: 71-74ºC
• Refractive Index: 1.4770 (estimate)
• Boiling Point: 253.6 °C at 760 mmHg
• PKA: 4.48±0.10(Predicted)
• Flash Point: 115.6 °C
• PSA: 44.48000
• Density: 1.096 g/cm³
• LogP: 1.86720
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Water Solubility.: Slightly soluble in water.
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 153.078978594
• Heavy Atom Count: 11
• Complexity: 107

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,6-Dimethoxyaniline ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,T
• Statements: 20/21/22-36/37/38-36-33
• Safety Statements: 26-36/37/39-36/37-28

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(=CC=C1)OC)N
• Uses: 2,6-Dimethylaniline degradation by Fenton process has been studied in depth for the purpose of learning more about the reactions involved in the oxidation of 2,6-dimethylaniline under various reaction conditions. Using a previously developed gas chromatographic-mass spectrometric assay, hemoglobin adducts of 2,6-dimethylaniline were detected covalently bound to rat hemoglobin after administration of either 2,6-dimethylaniline or lidocaine.

Technology Process of 2,6-DIMETHOXYANILINE

There total 23 articles about 2,6-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: 99.0%

(2,6-dimethoxyphenyl)boronic acid (23112-96-1) → 2,6-dimethoxyaniline (2734-70-5)

Guidance literature:

With sodium hydroxide; hydroxylamine-O-sulfonic acid; In acetonitrile; at 20 ℃; for 16h;

DOI:10.1021/jo5025078

Reference yield: 98.0%

1,3-dimethoxy-2-nitrobenzene (6665-97-0) → 2,6-dimethoxyaniline (2734-70-5)

Guidance literature:

With iron; acetic acid; In ethanol; water; at 90 ℃;

Reference yield: 98.0%

2,6-dimethoxybenzohydroxamic acid (51410-99-2) → 2,6-dimethoxyaniline (2734-70-5)

Guidance literature:

With potassium carbonate; In dimethyl sulfoxide; at 90 ℃; for 0.0833333h;

DOI:10.1039/b822806j

upstream raw materials:

1,3-dimethoxy-2-nitrobenzene

(2,6-dimethoxyphenyl)lithium

5-(2,6-dimethoxyphenyl)-1-phenyl-1H-1,2,5-triazapentadiene

azidomethyl phenyl sulphide

Downstream raw materials:

1-(2,6-dimethoxy-phenyl)-piperidine

2-isothiocyanato-1,3-dimethoxybenzene

3-oxo-3-phenyl-propionic acid-(2,6-dimethoxy-anilide)

chloro-acetic acid-(2,6-dimethoxy-anilide)

Refernces

• 1、 Sadamitsu, Yuta,Okumura, Akira,Saito, Kodai,Yamada, Tohru. "Kolbe-Schmitt type reaction under ambient conditions mediated by an organic base". . p. 9837 - 9840. Retrieved 2019/08/20.
• 2、 Hyodo, Kengo,Hasegawa, Genna,Maki, Hiroya,Uchida, Kingo. "Deacetylative Amination of Acetyl Arenes and Alkanes with C-C Bond Cleavage". supporting information. p. 2818 - 2822. Retrieved 2019/04/25.