2,5-Dimethylbenzene-1,4-diamine

Base Information

• Chemical Name: 2,5-Dimethylbenzene-1,4-diamine
• CAS No.: 6393-01-7
• Molecular Formula: C8H12N2
• Molecular Weight: 136.197
• Hs Code.: 29215900
• European Community (EC) Number: 229-003-7
• UNII: RE400VN2B4
• DSSTox Substance ID: DTXSID10213725
• Nikkaji Number: J81.211K
• Wikidata: Q27124114
• Metabolomics Workbench ID: 58667
• ChEMBL ID: CHEMBL1795410
• Mol file: 6393-01-7.mol

Synonyms:2,5-dimethyl-1,4-benzoquinonediamine

Chemical Property of 2,5-Dimethylbenzene-1,4-diamine

Chemical Property:

• Appearance/Colour: Greyish-brown crystalline powder
• Vapor Pressure: 0.00364mmHg at 25°C
• Melting Point: 149-150 °C(lit.)
• Refractive Index: 1.618
• Boiling Point: 281.087 °C at 760 mmHg
• PKA: 6.14±0.10(Predicted)
• Flash Point: 146.024 °C
• PSA: 52.04000
• Density: 1.076 g/cm³
• LogP: 2.63020
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility.: Chloroform (Sparingly), DMSO (Slightly)
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 136.100048391
• Heavy Atom Count: 10
• Complexity: 99.8

Purity/Quality:

98%, ^*data from raw suppliers

2,5-Dimethyl-1,4-phenylenediamine ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1N)C)N
• Uses: 2,5-Dimethyl-1,4-phenylenediamine (cas# 6393-01-7) is a useful reagent for synthesis of novel Schiff-?base type conjugative polymers.

Technology Process of 2,5-Dimethylbenzene-1,4-diamine

There total 25 articles about 2,5-Dimethylbenzene-1,4-diamine 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%

2,5-dibromo-p-xylene (1074-24-4) → 2,5-Dimethyl-1,4-phenylenediamine (6393-01-7)

Guidance literature:

With C₂₄H₁₂Cu₂F₉N₄O₇; tetrabutylammomium bromide; ammonia; caesium carbonate; In water; at 110 - 140 ℃; for 16h;

DOI:10.1021/jo301244p

Reference yield: 98.39%

4-amino-2,5-dimethyl-2'-methylazobenzene → 2,5-Dimethyl-1,4-phenylenediamine (6393-01-7)

Guidance literature:

With 5%-palladium/activated carbon; at 55 - 80 ℃; for 6h; under 7500.75 Torr; pH=8 - 8.5; Reagent/catalyst; Autoclave;

Reference yield:

4-nitro-2,5-xylidine (3460-29-5) → 2,5-Dimethyl-1,4-phenylenediamine (6393-01-7)

Guidance literature:

With ethanol; platinum; Hydrogenation;

DOI:10.1021/ja01325a026

upstream raw materials:

4-(2,5-dimethyl-phenylazo)-2,5-dimethyl-aniline

2,5-dimethyl-p-benzoquinone dioxime

2,5-dimethyl-4-nitroso-aniline

4-nitro-2,5-xylidine

Downstream raw materials:

4-[(4-amino-2,5-dimethyl-phenylamino)-methyl]-2,6-di-tert-butyl-phenol

(1S,2R,4S,5R)-2,5-dimethylcyclohexane-1,4-diamine

Refernces

• 1、 Jiang, Zheng-Yu,Xu, Li-Li,Lu, Meng-Chen,Chen, Zhi-Yun,Yuan, Zhen-Wei,Xu, Xiao-Li,Guo, Xiao-Ke,Zhang, Xiao-Jin,Sun, Hao-Peng,You, Qi-Dong. "Structure-Activity and Structure-Property Relationship and Exploratory in Vivo Evaluation of the Nanomolar Keap1-Nrf2 Protein-Protein Interaction Inhibitor". . p. 6410 - 6421. Retrieved 2015/09/08.
• 2、 -. "Bis-Amination of Aryl Halides". Page/Page column 4. . Retrieved 2008/06/13.