2,3-Diaminotoluene

Base Information

• Chemical Name: 2,3-Diaminotoluene
• CAS No.: 2687-25-4
• Molecular Formula: C7H10N2
• Molecular Weight: 122.17
• Hs Code.: 29214990
• European Community (EC) Number: 220-248-5
• UNII: SR8WC7LLQ2
• DSSTox Substance ID: DTXSID4027494
• Nikkaji Number: J7.647C
• Wikidata: Q27289352
• Metabolomics Workbench ID: 143649
• ChEMBL ID: CHEMBL3183504
• Mol file: 2687-25-4.mol

Synonyms:2,3-diaminotoluene;3-methyl-1,2-diaminobenzene

Chemical Property of 2,3-Diaminotoluene

Chemical Property:

• Appearance/Colour: brown powder
• Melting Point: 59-65 °C(lit.)
• Refractive Index: 1.5103 (estimate)
• Boiling Point: 255 °C at 760 mmHg
• PKA: 4.28±0.10(Predicted)
• Flash Point: 131.1 °C
• PSA: 52.04000
• Density: 1.107 g/cm ³
• LogP: 2.32180
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility.: Dichloromethane
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 122.084398327
• Heavy Atom Count: 9
• Complexity: 92.9

Purity/Quality:

98%, ^*data from raw suppliers

2,3-Diaminotoluene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi; Xn
• Hazard Codes: Xn,Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Amines, Aromatic
• Canonical SMILES: CC1=C(C(=CC=C1)N)N
• Uses: Inducer of CYP1A activity, and possible mutagenic carcinogen.

Technology Process of 2,3-Diaminotoluene

There total 21 articles about 2,3-Diaminotoluene 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: 98.0%

3-methyl-2-nitroaniline (601-87-6) → 3-methyl-1,2-benzenediamine (2687-25-4)

Guidance literature:

With palladium 10% on activated carbon; ammonium formate; In methanol; at 70 ℃; for 3h;

DOI:10.1039/c4tc01558d

Reference yield: 97.0%

2-Methyl-6-nitroaniline (570-24-1) → 3-methyl-1,2-benzenediamine (2687-25-4)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In ethanol; at 20 ℃; for 4h; under 760.051 Torr;

Reference yield: 89.0%

2-nitro-6,6'-dimethylazobenzene → 3-methyl-1,2-benzenediamine (2687-25-4)

Guidance literature:

With formic acid; zinc; In 1,2-dichloro-ethane; at 20 ℃; for 20h; Inert atmosphere;

upstream raw materials:

2-Methyl-6-nitroaniline

3-methyl-2-nitroaniline

1-methyl-2,3-dinitrobenzene

hydrogen iodide

Downstream raw materials:

3-methyl-N¹-[3]pyridyl-o-phenylenediamine

3-methyl-N²-[3]pyridyl-o-phenylenediamine

7-methyl-8-amino quinoline

4-methyl-1,3-dihydro-2H-benzoimidazol-2-one

Refernces

• 1、 Wang, Lianhui,Yang, Zi,Yang, Mengqi,Zhang, Rongyi,Kuai, Changsheng,Cui, Xiuling. "Iridium-catalyzed direct C-H amidation of anilines with sulfonyl azides: Easy access to 1,2-diaminobenzenes". . p. 8302 - 8307. Retrieved 2017.
• 2、 Gli?i?, Biljana D.,Hoffmann, Marcin,Warzajtis, Beata,Gen?i?, Marija S.,Blagojevi?, Polina D.,Radulovi?, Niko S.,Rychlewska, Urszula,Djuran, Milo? I.. "Selectivity of the complexation reactions of four regioisomeric methylcamphorquinoxaline ligands with gold(III): X-ray, NMR and DFT investigations". . p. 137 - 149. Retrieved 2016.
• 3、 -. "METALLOENZYME INHIBITOR COMPOUNDS". Page/Page column 45. . Retrieved 2020/07/25.