1-Iodo-2,4-dimethyl-3-nitrobenzene

Base Information

• Chemical Name: 1-Iodo-2,4-dimethyl-3-nitrobenzene
• CAS No.: 56404-21-8
• Molecular Formula: C8H8INO2
• Molecular Weight: 277.062
• DSSTox Substance ID: DTXSID80368094
• Wikidata: Q82154408
• Mol file: 56404-21-8.mol

Synonyms:1-iodo-2,4-dimethyl-3-nitrobenzene;56404-21-8;1-Iodo-2,4-dimethyl-3-nitro-benzene;SCHEMBL1013018;2,4-dimethyl-3-nitroiodobenzene;DTXSID80368094;BIACWLGCCVBYNE-UHFFFAOYSA-N;MFCD02709656;1,3-Dimethyl-4-iodo-2-nitrobenzene;AKOS016007267;SB37690;NCGC00329503-01;AS-40318;CS-0153729;FT-0740743;AB01098847-03;A869957;Z56794873

Chemical Property of 1-Iodo-2,4-dimethyl-3-nitrobenzene

Chemical Property:

• PSA: 45.82000
• LogP: 3.33940
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 276.95998
• Heavy Atom Count: 12
• Complexity: 180

Purity/Quality:

97% ^*data from raw suppliers

1-Iodo-2,4-dimethyl-3-nitro-benzene 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C(=C(C=C1)I)C)[N+](=O)[O-]

Technology Process of 1-Iodo-2,4-dimethyl-3-nitrobenzene

There total 2 articles about 1-Iodo-2,4-dimethyl-3-nitrobenzene 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: 95.0%

2,6-dimethylnitrobenzene (81-20-9) → 1-iodo-2,4-dimethyl-3-nitro-benzene (56404-21-8)

Guidance literature:

With iodine; acetic acid; periodic acid; sulfuric acid; at 90 ℃; for 96h;

DOI:10.1248/cpb.52.1445

Reference yield:

C12H9F6O4Tl → 1-iodo-2,4-dimethyl-3-nitro-benzene (56404-21-8)

Guidance literature:

Multistep reaction; (i) HNO₃, Ac₂O, H₂SO₄, (ii) I₂, aq. NaOH;

DOI:10.1021/jo00911a031

Reference yield: 98.0%

1-iodo-2,4-dimethyl-3-nitro-benzene (56404-21-8) → 3-iodo-2,6-dimethylaniline (784107-79-5)

Guidance literature:

With iron; ammonium chloride; In ethanol; water; Reflux;

upstream raw materials:

2,6-dimethylnitrobenzene

Downstream raw materials:

3-iodo-2,6-dimethylaniline hydrochloride

3-iodo-2,6-dimethylaniline

3-iodo-2,6-dimethylphenyl methyl ether

(R)-6,6'-bis(diphenylphosphino)-3,3'-dimethoxy-2,2',4,4'-tetramethyl-1,1'-biphenyl

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