3-Isopropoxynitrobenzene

Base Information

• Chemical Name: 3-Isopropoxynitrobenzene
• CAS No.: 88991-53-1
• Molecular Formula: C9H11NO3
• Molecular Weight: 181.191
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID30478036
• Nikkaji Number: J323.673K
• Wikidata: Q82311191
• Mol file: 88991-53-1.mol

Synonyms:3-isopropoxynitrobenzene;88991-53-1;1-nitro-3-propan-2-yloxybenzene;1-Isopropoxy-3-nitrobenzene;Benzene, 1-(1-methylethoxy)-3-nitro-;1-nitro-3-(propan-2-yloxy)benzene;3-(1-Methylethoxy)nitrobenzene;SCHEMBL7671999;DTXSID30478036;HYEGHGPJOHWWEX-UHFFFAOYSA-N;AKOS027439806;G10457

Chemical Property of 3-Isopropoxynitrobenzene

Chemical Property:

• Boiling Point: 258-259 °C(Press: 744 Torr)
• PSA: 55.05000
• Density: 1.141±0.06 g/cm3(Predicted)
• LogP: 2.90520
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 181.07389321
• Heavy Atom Count: 13
• Complexity: 176

Purity/Quality:

1-Isopropoxy-3-nitro-benzene 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OC1=CC=CC(=C1)[N+](=O)[O-]

Technology Process of 3-Isopropoxynitrobenzene

There total 4 articles about 3-Isopropoxynitrobenzene 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: 86.0%

2-iodo-propane (75-30-9) + meta-nitrophenol (554-84-7) → 3-(1-Methylethoxy)nitrobenzene (88991-53-1)

Guidance literature:

With potassium carbonate; In acetone; Heating;

DOI:10.1021/jm00108a040

Reference yield: 10.0%

3-fluoro-1-nitrobenzene (402-67-5) + sodium isopropylate (683-60-3) → 3-(1-Methylethoxy)nitrobenzene (88991-53-1)

Guidance literature:

DOI:10.1080/00304940409355375

Reference yield:

2-iodo-propane (75-30-9) + petroleum ether (40°-60°)-ethyl acetate + meta-nitrophenol (554-84-7) → 3-(1-Methylethoxy)nitrobenzene (88991-53-1)

Guidance literature:

With potassium carbonate; In N-methyl-acetamide;

upstream raw materials:

2-iodo-propane

meta-nitrophenol

3-fluoro-1-nitrobenzene

sodium isopropylate

Downstream raw materials:

mepronil

3-isopropoxy-N,N-dimethyl-4-nitroso-aniline

N-(3-isopropoxyphenyl)acetamide

3-isopropoxy-N,N-dimethyl-aniline

Refernces

• 1、 Bunce, Richard A.,Easton, Kerry M.. "A versatile and convenient synthesis of alkyl nitroaromatic ethers by nucleophilic aromatic substitution". . p. 76 - 81. Retrieved 2007/10/03.
• 2、 Yu,Thrasher,McCowan,Mason,Mendelsohn. "Quinazolinone cholecystokinin-B receptor ligands [2]". . p. 1505 - 1508. Retrieved 2007/10/02.