2-Iodo-4,5-dimethylaniline

Base Information

• Chemical Name: 2-Iodo-4,5-dimethylaniline
• CAS No.: 117832-17-4
• Molecular Formula: C8H10IN
• Molecular Weight: 247.079
• DSSTox Substance ID: DTXSID60554817
• Nikkaji Number: J2.735.201D
• Wikidata: Q82435991
• Mol file: 117832-17-4.mol

Synonyms:2-IODO-4,5-DIMETHYLANILINE;117832-17-4;2-iodo-4,5-dimethylBenzenamine;Benzenamine,2-iodo-4,5-dimethyl-;3,4-dimethyl-6-iodoaniline;SCHEMBL841555;DTXSID60554817;ZAVYUORHSOSKGS-UHFFFAOYSA-N;MFCD07779006;AKOS015910452;BS-14435;CS-0098668;F12533

Chemical Property of 2-Iodo-4,5-dimethylaniline

Chemical Property:

• Boiling Point: 283.3 °C at 760 mmHg
• Flash Point: 125.1 °C
• PSA: 26.02000
• Density: 1.688 g/cm³
• LogP: 3.07140
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 246.98580
• Heavy Atom Count: 10
• Complexity: 116

Purity/Quality:

98%min ^*data from raw suppliers

2-Iodo-4,5-dimethylaniline 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1C)I)N

Technology Process of 2-Iodo-4,5-dimethylaniline

There total 2 articles about 2-Iodo-4,5-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: 93.0%

4-amino-o-xylene (95-64-7) → 2-iodo-4,5-dimethylaniline (117832-17-4)

Guidance literature:

With 1-butyl-3-methyl-pyridinium dichloroiodate; at 80 ℃; for 1h; Inert atmosphere;

Reference yield:

4-amino-o-xylene (95-64-7) → 2-iodo-4,5-dimethylaniline (117832-17-4) + 2-chloro-4,5-dimethylaniline (1585-13-3)

Guidance literature:

With 1-butyl-3-methyl-pyridinium dichloroiodate; for 1h;

DOI:10.1039/c5ra14702f

Reference yield: 98.0%

benzylacrylate (2495-35-4,25036-21-9) + 2-iodo-4,5-dimethylaniline (117832-17-4) → 3-[(2-iodo-4,5-dimethylphenyl)amino]benzyl acrylate

Guidance literature:

benzylacrylate; With palladium diacetate; p-benzoquinone; lithium chloride; In tetrahydrofuran; for 0.5h; Inert atmosphere;

2-iodo-4,5-dimethylaniline; In tetrahydrofuran; at 20 ℃; Inert atmosphere;

DOI:10.1021/jm500588w

upstream raw materials:

4-amino-o-xylene

Downstream raw materials:

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

C₁₆H₁₆N₂

C₁₆H₁₈N₂O

2,7,8-trimethyl-11-phenyl-5H-dibenzo[b,e][1,4]diazepine

Refernces

• 1、 Puli, Venkat Swamy,Kilaru, Suresh,Bhongiri, Yadagiri,Marri, Sreenath Reddy,Tripathi, Anuj,Chetti, Prabhakar,Chatterjee, Anindita,Vukoti, Kiran Kumar,Pola, Someshwar. "New indolo[1,2-c]quinazolines for single-crystal field-effect transistor: A united experimental and theoretical studies". . . Retrieved 2021/08/30.
• 2、 Zhang, Jun,Torabi Kohlbouni, Saeedeh,Borhan, Babak. "Cu-Catalyzed Oxidation of C2 and C3 Alkyl-Substituted Indole via Acyl Nitroso Reagents". supporting information. p. 14 - 17. Retrieved 2019/01/08.