2-Iodo-3-methylaniline

Base Information

• Chemical Name: 2-Iodo-3-methylaniline
• CAS No.: 89938-16-9
• Molecular Formula: C7H8IN
• Molecular Weight: 233.052
• Hs Code.: 2921430090
• European Community (EC) Number: 819-488-9
• DSSTox Substance ID: DTXSID40602188
• Wikidata: Q82499149
• Mol file: 89938-16-9.mol

Synonyms:2-iodo-3-methylaniline;89938-16-9;MFCD11505640;Benzenamine, 2-iodo-3-methyl-;2-iodo-3-methyl-aniline;m-Toluidine, 2-iodo-;2-iodanyl-3-methyl-aniline;SCHEMBL8773077;DTXSID40602188;CL9431;AKOS025403194;AS-46345;SY034644;CS-0094462;EN300-88612;A843378

Chemical Property of 2-Iodo-3-methylaniline

Chemical Property:

• Melting Point: 41-42 °C
• Boiling Point: 268.6 °C at 760 mmHg
• PKA: 2.66±0.10(Predicted)
• Flash Point: 116.2 °C
• PSA: 26.02000
• Density: 1.791g/cm³
• LogP: 2.76300
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 232.97015
• Heavy Atom Count: 9
• Complexity: 94.9

Purity/Quality:

98%Min ^*data from raw suppliers

2-Iodo-3-methylaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=CC=C1)N)I

Technology Process of 2-Iodo-3-methylaniline

There total 3 articles about 2-Iodo-3-methylaniline 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:

2-Methyl-6-nitroaniline (570-24-1) → 2-iodo-1-methyl-3-methylaniline (89938-16-9)

Guidance literature:

Multi-step reaction with 2 steps

1: Diazotization_.Erwaermen der Diazoniumsulfatloesung mit Kaliumjodidloesung

2: FeSO₄; NH₃

With ammonia; iron(II) sulfate;

Reference yield:

1-amino-3-methylbenzene (108-44-1) → 2-iodo-1-methyl-3-methylaniline (89938-16-9)

Guidance literature:

With tetrafluoroboric acid; [bis(pyridine)iodine]⁺ tetrafluoroborate; In dichloromethane; at 20 ℃;

DOI:10.1055/s-0035-1561305

Reference yield:

→ 2-iodo-1-methyl-3-methylaniline (89938-16-9)

Guidance literature:

2-Iod-3-nitro-toluol, Eisen(II)-sulfat u. wss. NH3 (Erwaermen);

upstream raw materials:

2-Methyl-6-nitroaniline

1-amino-3-methylbenzene

Downstream raw materials:

iodine

2,2'-diselanediylbis(3-methylaniline)

Refernces

• 1、 Praveen, Chandrasekar,Perumal. "Revisiting the Gold-Catalyzed Dimerization of 2-Ethynylanilines: A Room-Temperature and Silver-Free Protocol for the Synthesis of Multifunctional Quinolines". . p. 855 - 864. Retrieved 2016/03/15.