2-Amino-6-iodotoluene

Base Information

• Chemical Name: 2-Amino-6-iodotoluene
• CAS No.: 172681-47-9
• Molecular Formula: C7H8IN
• Molecular Weight: 233.052
• Hs Code.: 2921430090
• DSSTox Substance ID: DTXSID60596550
• Nikkaji Number: J2.491.339B
• Wikidata: Q82491837
• Mol file: 172681-47-9.mol

Synonyms:2-amino-6-iodotoluene;172681-47-9;3-iodo-2-methylaniline;MFCD08062502;Benzenamine, 3-iodo-2-methyl-;CUCURBITACINE;3-Iodo-2-Methyl Aniline;3-iodo-2-methylbenzenamine;SCHEMBL5498282;DTXSID60596550;UZEAHFLEZWXHCE-UHFFFAOYSA-N;AKOS005133612;CS-W006233;GS-3721;SY024532;DB-064860;EN300-88611;A881857;J-507996

Chemical Property of 2-Amino-6-iodotoluene

Chemical Property:

• Vapor Pressure: 0.00238mmHg at 25°C
• Refractive Index: 1.663
• Boiling Point: 288.1 °C at 760 mmHg
• PKA: 3.49±0.10(Predicted)
• Flash Point: 128 °C
• PSA: 26.02000
• Density: 1.791 g/cm³
• LogP: 2.76300
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• 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:

97% ^*data from raw suppliers

2-Amino-6-iodotoluene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC=C1I)N
• Uses: 2-Amino-6-iodotoluene is a useful research reagent for organic synthesis and other chemical processes.

Technology Process of 2-Amino-6-iodotoluene

There total 4 articles about 2-Amino-6-iodotoluene 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%

2-iodo-6-nitrotoluene (41252-98-6) → 3-iodo-2-methylphenylamine (172681-47-9)

Guidance literature:

With hydrogenchloride; tin(ll) chloride; at 0 - 50 ℃; for 2h;

DOI:10.1016/j.bmcl.2007.03.024

Reference yield:

3-nitro-o-tolylamine (603-83-8) → 3-iodo-2-methylphenylamine (172681-47-9)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium nitrite; H₂SO₄ / 2 h / 0 - 20 °C

1.2: 91 percent / aq. KI / 12 h / 20 °C

2.1: 93 percent / conc. HCl; SnCl₂ / 2 h / 0 - 50 °C

With hydrogenchloride; sulfuric acid; tin(ll) chloride; sodium nitrite;

DOI:10.1016/j.bmcl.2007.03.024

Reference yield:

2,6-dinitrotoluene (606-20-2) → 3-iodo-2-methylphenylamine (172681-47-9)

Guidance literature:

Multi-step reaction with 3 steps

1: alcohol; hydrogen sulfide; ammoniacal

2: Diazotization_.Eingiessen der Diazoniumsulfatloesung in eine konz. Loesung von KI

3: SnCl₂; hydrochloric acid

With hydrogenchloride; ethanol; hydrogen sulfide; tin(ll) chloride;

upstream raw materials:

2-iodo-6-nitrotoluene

3-nitro-o-tolylamine

2,6-dinitrotoluene

Downstream raw materials:

1,5-diiodo-2-methylbenzene

N-(3-iodo-2-methylphenyl)acetamide

N-(3-iodo-2-methylphenyl)isobutyramide

2-methyl-3-( 4,4,5,5-tetramethyl[1,3,2]dioxaborolane-2-yl)phenylamine