1-Isopropoxy-4-nitrobenzene

Base Information

• Chemical Name: 1-Isopropoxy-4-nitrobenzene
• CAS No.: 26455-31-2
• Molecular Formula: C9H11NO3
• Molecular Weight: 181.191
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID40504794
• Nikkaji Number: J323.674I
• Wikidata: Q82359539
• Mol file: 26455-31-2.mol

Synonyms:1-Isopropoxy-4-nitrobenzene;26455-31-2;1-nitro-4-propan-2-yloxybenzene;Benzene, 1-(1-methylethoxy)-4-nitro-;1-nitro-4-(propan-2-yloxy)benzene;MFCD01327671;Isopropyl 4-Nitrophenyl Ether;4-Isopropoxynitrobenzene;1-isopropoxy-4-nitro-benzene;4-Nitrophenol, isopropyl ether;SCHEMBL4778707;DTXSID40504794;AMY28225;BBA45531;AKOS016009879;1-Nitro-4-[(propan-2-yl)oxy]benzene;AS-17959;CS-0159887;FT-0638609;I0579;A818455

Chemical Property of 1-Isopropoxy-4-nitrobenzene

Chemical Property:

• Vapor Pressure: 0.005mmHg at 25°C
• Melting Point: 30oC
• Boiling Point: 285.828oC at 760 mmHg
• Flash Point: 30oC
• PSA: 55.05000
• Density: 1.142g/cm3
• LogP: 2.90520
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 181.07389321
• Heavy Atom Count: 13
• Complexity: 168

Purity/Quality:

97% ^*data from raw suppliers

1-Isopropoxy-4-nitrobenzene ^*data from reagent suppliers

Safty Information:

• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

Useful:

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

Technology Process of 1-Isopropoxy-4-nitrobenzene

There total 17 articles about 1-Isopropoxy-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: 99.0%

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + isopropyl bromide (75-26-3) → 1-isopropoxy-4-nitrobenzene (26455-31-2)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 105 - 120 ℃; for 1h;

DOI:10.1016/j.bmcl.2014.03.073

Reference yield: 93.0%

potassium isopropoxide (6831-82-9) + 4-Fluoronitrobenzene (350-46-9,178603-76-4) → 1-isopropoxy-4-nitrobenzene (26455-31-2)

Guidance literature:

In isopropyl alcohol; at 75 ℃; Mechanism; Product distribution; Rate constant; also with the K⁺ complexing 18-crown-6 ether under anaerobic and aerobic conditions;

DOI:10.1021/jo00298a044

Reference yield: 89.0%

4-Fluoronitrobenzene (350-46-9,178603-76-4) + isopropyl alcohol (67-63-0,8013-70-5) → 1-isopropoxy-4-nitrobenzene (26455-31-2)

Guidance literature:

isopropyl alcohol; With N-benzyl-trimethylammonium hydroxide; for 0.166667h; Neat (no solvent);

4-Fluoronitrobenzene; at 70 ℃; for 0.75h; Neat (no solvent);

DOI:10.1080/00397910903219518

upstream raw materials:

isopropoxybenzene

4-Fluoronitrobenzene

isopropyl alcohol

4-nitro-phenol

Downstream raw materials:

4‐nitro‐2‐(propan‐2‐yl)phenol

4-(isopropoxy)aniline

4-isopropoxybenzenamine hydrochloride

4-isopropoxyphenyl azide