1-(2-Iodoethyl)-4-nitrobenzene

Base Information

• Chemical Name: 1-(2-Iodoethyl)-4-nitrobenzene
• CAS No.: 20264-96-4
• Molecular Formula: C8H8INO2
• Molecular Weight: 277.062
• Hs Code.: 2904909090
• ChEMBL ID: CHEMBL1774703
• DSSTox Substance ID: DTXSID40463110
• Wikidata: Q82287890
• Mol file: 20264-96-4.mol

Synonyms:1-(2-iodoethyl)-4-nitrobenzene;20264-96-4;1-(2-Iodo-ethyl)-4-nitro-benzene;p-nitrophenylethyl iodide;SCHEMBL2588477;CHEMBL1774703;DTXSID40463110;SRYFPKKLUIWUGW-UHFFFAOYSA-N;AKOS014116128;FT-0755873;A1-13119

Chemical Property of 1-(2-Iodoethyl)-4-nitrobenzene

Chemical Property:

• Boiling Point: 337.7 °C at 760 mmHg
• Flash Point: 158.1 °C
• PSA: 45.82000
• Density: 1.811 g/cm³
• LogP: 3.09550
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 276.95998
• Heavy Atom Count: 12
• Complexity: 150

Purity/Quality:

99% ^*data from raw suppliers

1-(2-Iodoethyl)-4-nitrobenzene 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CCI)[N+](=O)[O-]

Technology Process of 1-(2-Iodoethyl)-4-nitrobenzene

There total 7 articles about 1-(2-Iodoethyl)-4-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: 97.0%

2-(4-nitrophenyl)ethanol (100-27-6) → 2-(4-nitrophenyl)ethyl iodide (20264-96-4)

Guidance literature:

With 1H-imidazole; iodine; triphenylphosphine; In toluene; at 20 ℃; for 3h; Inert atmosphere;

DOI:10.1021/jm101182s

Reference yield: 93.0%

2-(4-nitrophenyl)ethyl chloride (20264-95-3) → 2-(4-nitrophenyl)ethyl iodide (20264-96-4)

Guidance literature:

With sodium iodide; In butanone; for 24h; Heating;

DOI:10.1016/0040-4020(84)85103-0

Reference yield: 70.0%

<(p-Nitrophenyl)ethyl>-β-sulfonic ester (20020-28-4) → 2-(4-nitrophenyl)ethyl iodide (20264-96-4)

Guidance literature:

With sodium iodide; In acetone; at 20 ℃; for 18h;

DOI:10.1021/jm00173a015

upstream raw materials:

2-(4-nitrophenyl)ethyl chloride

(4-nitrophenyl)ethyl bromide

<(p-Nitrophenyl)ethyl>-β-sulfonic ester

1H-imidazole

Downstream raw materials:

1'-(2-(4-nitrophenyl)ethyl)-2,3'-bipyridinium iodide

Acetic acid (2R,3R,4R,5R)-4-acetoxy-2-[(4-methoxy-phenyl)-diphenyl-methoxymethyl]-5-{4-[2-(4-nitro-phenyl)-ethoxy]-2-oxo-2H-pyrimidin-1-yl}-tetrahydro-furan-3-yl ester

1,3,6-Trimethyl-7-(<2-(p-nitrophenyl)ethyl>thio)pteridin-2,4(1H,3H)-dion

2',3',5'-tri-O-acetyl-8-bromo-O²,O⁶-bis<2-(p-nitrophenyl)ethyl>xanthosine