2,3-Dimethylaniline

Base Information

• Chemical Name: 2,3-Dimethylaniline
• CAS No.: 87-59-2
• Molecular Formula: C8H11N
• Molecular Weight: 121.182
• Hs Code.: 2921.49
• European Community (EC) Number: 201-755-0
• ICSC Number: 0451
• UN Number: 1711
• UNII: ZD450ABI9X
• DSSTox Substance ID: DTXSID3026304
• Nikkaji Number: J3.537H
• Wikipedia: 2,3-Xylidine
• Wikidata: Q39045423
• ChEMBL ID: CHEMBL1578983
• Mol file: 87-59-2.mol

Synonyms:2,3-dimethylaniline

Chemical Property of 2,3-Dimethylaniline

Chemical Property:

• Appearance/Colour: brown liquid
• Vapor Pressure: 0.13 hPa (25 °C)
• Melting Point: 2.5 °C(lit.)
• Refractive Index: n20/D 1.569(lit.)
• Boiling Point: 221.9 °C at 760 mmHg
• PKA: pK1:4.70(+1) (25°C)
• Flash Point: 96.1 °C
• PSA: 26.02000
• Density: 0.975 g/cm³
• LogP: 2.46680
• Storage Temp.: Refrigerator
• Solubility.: 1.5g/l
• Water Solubility.: 30 g/L (20 ºC)
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 121.089149355
• Heavy Atom Count: 9
• Complexity: 90.6
• Transport DOT Label: Poison

Purity/Quality:

99% ^*data from raw suppliers

2,3-Dimethylaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T,N
• Hazard Codes: T,N
• Statements: 23/24/25-33-51/53
• Safety Statements: 28-36/37-45-61-28A

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C(=CC=C1)N)C
• Inhalation Risk: A harmful contamination of the air will be reached slowly on evaporation of this substance at 20 °C; on spraying or dispersing, however, much faster.
• Effects of Short Term Exposure: Exposure at high levels could cause lowering of consciousness and formation of methaemoglobin. The effects may be delayed. Medical observation is indicated.
• Effects of Long Term Exposure: The substance may have effects on the blood. This may result in anaemia.
• Uses: Reagent used in the preparation of non-steroidal anti-inflammatory drugs, dyes and pesticides.

Technology Process of 2,3-Dimethylaniline

There total 23 articles about 2,3-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: 100.0%

1-tert-butyl-N-(2,3-dimethylphenyl)-1,1-dimethylsilanamine (1321455-35-9) → 2,3-Dimethylaniline (87-59-2)

Guidance literature:

With silica gel; In ethanol; water; at 20 ℃; for 2h;

DOI:10.1039/c1gc15574a

Reference yield: 96.8%

2,3-dimethylnitrobenzene (83-41-0) → 2,3-Dimethylaniline (87-59-2)

Guidance literature:

With sodium sulfide; tetrabutylammomium bromide; In water; toluene; at 80 ℃; for 0.75h;

DOI:10.1002/adsc.200404364

Reference yield: 75.0%

2-amino-6-methylbenzoic acid methyl ester (18595-13-6) → 2,3-Dimethylaniline (87-59-2)

Guidance literature:

With sodium bis(2-methoxyethoxy)aluminium dihydride; In toluene; for 3h; Heating;

DOI:10.1002/1099-0690(200207)2002:13<2094::AID-EJOC2094>3.0.CO;2-E

upstream raw materials:

o-xylene

2,3-dimethylnitrobenzene

Methyl fluoride

1-amino-3-methylbenzene

Downstream raw materials:

N-(2,3-dimethylphenyl)acetamide

N-(2,3-dimethylphenyl)benzamide

N-(2,3-dimethylphenyl)glycine

ethyl (2,3-dimethylanilino)-1,6-dihydro-6-oxo-5-pyrimidinecarboxylate

Refernces

• 1、 Cooks et al.. "-". . p. 4064. Retrieved 1968.
• 2、 Antil, Neha,Kumar, Ajay,Akhtar, Naved,Newar, Rajashree,Begum, Wahida,Dwivedi, Ashutosh,Manna, Kuntal. "Aluminum Metal-Organic Framework-Ligated Single-Site Nickel(II)-Hydride for Heterogeneous Chemoselective Catalysis". . p. 3943 - 3957. Retrieved 2021/04/12.
• 3、 Dong, Panpan,He, Rong,Liu, Yan,Lu, Ning,Mao, Junjie,Wu, Konglin,Zhang, Wenzhuang,Zheng, Yamin. "Single-atom Fe-N4site for the hydrogenation of nitrobenzene: theoretical and experimental studies". supporting information. p. 7995 - 8001. Retrieved 2021/06/21.