3-Iodo-4-nitroanisole

Base Information

• Chemical Name: 3-Iodo-4-nitroanisole
• CAS No.: 214279-40-0
• Molecular Formula: C7H6INO3
• Molecular Weight: 279.034
• Hs Code.: 29093090
• European Community (EC) Number: 801-045-6
• DSSTox Substance ID: DTXSID70369919
• Nikkaji Number: J2.197.697K
• Wikidata: Q82157203
• Mol file: 214279-40-0.mol

Synonyms:3-Iodo-4-nitroanisole;2-iodo-4-methoxy-1-nitrobenzene;214279-40-0;Benzene, 2-iodo-4-methoxy-1-nitro-;MFCD01320682;4-Nitro-3-iodoanisole;SCHEMBL1025833;DTXSID70369919;1-Nitro-2-iodo-4-methoxybenzene;NLTAHTYBZZSCIT-UHFFFAOYSA-N;3-iodo-4-nitrophenyl methyl ether;AKOS015890567;AS-33041;SY109945;CS-0112224;FT-0600699;2-Iodo-4-methoxy-1-nitrobenzene, AldrichCPR;A20634;EN300-176834;J-509708;3-[(Tert-butoxycarbonyl)(methyl)(amino)]propionic acid

Chemical Property of 3-Iodo-4-nitroanisole

Chemical Property:

• Appearance/Colour: yellow to orange-brown crystals
• Vapor Pressure: 7.95E-05mmHg at 25°C
• Melting Point: 68-73 °C
• Refractive Index: 1.629
• Boiling Point: 352.1 °C at 760 mmHg
• Flash Point: 166.8 °C
• PSA: 55.05000
• Density: 1.893 g/cm³
• LogP: 2.73120
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 278.93924
• Heavy Atom Count: 12
• Complexity: 171

Purity/Quality:

98%min ^*data from raw suppliers

2-Iodo-4-methoxy-1-nitrobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 36-33-20/21/22
• Safety Statements: 36/37-22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1)[N+](=O)[O-])I

Technology Process of 3-Iodo-4-nitroanisole

There total 9 articles about 3-Iodo-4-nitroanisole 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: 99.0%

3-iodo-4-nitrophenol (50590-07-3) + methyl iodide (74-88-4) → 3-iodo-4-nitroanisol (214279-40-0)

Guidance literature:

With potassium hydroxide; In dimethyl sulfoxide; at 18 ℃; for 4h;

DOI:10.1016/j.tet.2010.09.042

Reference yield: 97.0%

3-methoxy-1-iodobenzene (766-85-8) → 3-iodo-4-nitroanisol (214279-40-0)

Guidance literature:

With sulfuric acid; nitric acid; at 0 - 20 ℃; for 5h;

DOI:10.1002/ejoc.201900745

Reference yield: 93.0%

5-methoxy-2-nitroaniline (16133-49-6) → 3-iodo-4-nitroanisol (214279-40-0)

Guidance literature:

5-methoxy-2-nitroaniline; With sulfuric acid; sodium nitrite; In water; at 0 ℃; for 2h;

With potassium iodide; In water;

DOI:10.1016/j.tet.2008.12.056

upstream raw materials:

3-iodo-4-nitrophenol

dimethyl sulfate

5-methoxy-2-nitroaniline

3-Iodophenol

Downstream raw materials:

3-(5-methoxy-2-nitrophenyl)-pyridine

C₁₅H₁₀ClNO₃

C₁₅H₁₂N₂O₃

C₂₁H₁₄ClNO₃

Refernces

• 1、 Zhu, Daqian,Li, Min,Wu, Zhouming,Du, Yongliang,Luo, Bingling,Huang, Peng,Wen, Shijun. "Copper-Catalyzed One-Pot Synthesis of Dibenzofurans, Xanthenes, and Xanthones from Cyclic Diphenyl Iodoniums". supporting information. p. 4566 - 4571. Retrieved 2019/07/09.
• 2、 -. "Synthetic method of aryl halide taking aryl carboxylic acid as raw material". Paragraph 0133. . Retrieved 2018/01/03.