2-Iodo-5-methoxyaniline

Base Information

• Chemical Name: 2-Iodo-5-methoxyaniline
• CAS No.: 153898-63-6
• Molecular Formula: C7H8 I N O
• Molecular Weight: 249.051
• Hs Code.: 2922299090
• European Community (EC) Number: 828-901-1
• DSSTox Substance ID: DTXSID10456690
• Nikkaji Number: J1.552.914H
• Wikidata: Q82279246
• Mol file: 153898-63-6.mol

Synonyms:2-Iodo-5-methoxyaniline;153898-63-6;2-Iodo-5-methoxy-phenylamine;2-IODO-5-METHOXYBENZENAMINE;Benzenamine, 2-iodo-5-methoxy-;SCHEMBL112964;3-AMINO-4-IODOANISOLE;DTXSID10456690;CYDBBGSUZRDOPE-UHFFFAOYSA-N;CL8398;MFCD08458361;AKOS015851836;AB45640;CS-W009158;AC-28519;DS-12299;AM20060466;FT-0685874;EN300-60813;A19838;trans-Dimethyl1-benzyl-3,4-pyrrolidinedicarboxylate;W-205752

Chemical Property of 2-Iodo-5-methoxyaniline

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Melting Point: 33-36 °C(Solv: ethyl acetate (141-78-6))
• Refractive Index: 1.647
• Boiling Point: 298.423°C at 760 mmHg
• PKA: 2.11±0.10(Predicted)
• Flash Point: 134.282°C
• PSA: 35.25000
• Density: 1.807g/cm³
• LogP: 2.46320
• Storage Temp.: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 248.96506
• Heavy Atom Count: 10
• Complexity: 110

Purity/Quality:

97% ^*data from raw suppliers

2-Iodo-5-methoxyaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1)I)N

Technology Process of 2-Iodo-5-methoxyaniline

There total 4 articles about 2-Iodo-5-methoxyaniline 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: 96.0%

1-iodo-4-methoxy-2-nitrobenzene (58755-70-7) → 2-iodo-5-methoxyaniline (153898-63-6)

Guidance literature:

With iron(III) chloride hexahydrate; pyrographite; hydrazine hydrate; In methanol; for 2h; Reflux;

DOI:10.1002/anie.201102707

Reference yield: 75.0%

m-Anisidine (536-90-3,918666-97-4) → 2-iodo-5-methoxyaniline (153898-63-6)

Guidance literature:

With potassium permanganate; hydrogen iodide; In acetonitrile; at 20 ℃; for 12h;

DOI:10.1002/jccs.199600015

Reference yield: 2.0%

m-Anisidine (536-90-3,918666-97-4) → 4,6-diiodo-3-methoxyaniline (117832-18-5) + 4-iodo-3-methoxy-phenylamine (1112840-98-8) + 2-iodo-5-methoxyaniline (153898-63-6) + 2-iodo-3-methoxyphenylamine (98991-09-4)

Guidance literature:

With N-iodo-succinimide; acetic acid; In benzene; at 20 ℃; for 72h; regioselective reaction;

DOI:10.1055/s-0031-1290118

upstream raw materials:

1-iodo-4-methoxy-2-nitrobenzene

m-Anisidine

4-methoxy-2-nitroaniline

Downstream raw materials:

2-(benzylthio)-5-methoxybenzo[d]thiazole

C₂₄H₂₂N₂O₆S

4-methoxy-[1,1'-biphenyl]-2-amine

Tryprostatin A