4-(3-Isopropyl-4-methoxy-phenoxy)-3,5-dimethyl-nitrobenzene

Base Information

• Chemical Name: 4-(3-Isopropyl-4-methoxy-phenoxy)-3,5-dimethyl-nitrobenzene
• CAS No.: 156740-77-1
• Molecular Formula: C₁₈H₂₁NO₄
• Molecular Weight: 315.369
• DSSTox Substance ID: DTXSID401166388
• Mol file: 156740-77-1.mol

Synonyms:SCHEMBL4965062;AABUAHGQVREWCM-UHFFFAOYSA-N;DTXSID401166388;3,5-dimethyl-4-(3'-isopropyl-4'-methoxyphenoxy)-nitro benzene;3,5-dimethyl-4-(3'-isopropyl-4'-methoxyphenoxy)-nitrobenzene;3,5-Dimethyl-4-(3'-isopropyl-4'-methoxyphenoxy)nitrobenzene;4-(3-isopropyl-4-methoxy-phenoxy)-3,5-dimethyl-nitrobenzene;2-[4-Methoxy-3-(1-methylethyl)phenoxy]-1,3-dimethyl-5-nitrobenzene;156740-77-1

Chemical Property of 4-(3-Isopropyl-4-methoxy-phenoxy)-3,5-dimethyl-nitrobenzene

Chemical Property:

• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 315.14705815
• Heavy Atom Count: 23
• Complexity: 383

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1OC2=CC(=C(C=C2)OC)C(C)C)C)[N+](=O)[O-]

Technology Process of 4-(3-Isopropyl-4-methoxy-phenoxy)-3,5-dimethyl-nitrobenzene

There total 3 articles about 4-(3-Isopropyl-4-methoxy-phenoxy)-3,5-dimethyl-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: 79.0%

2,6-dimethyl-4-nitro phenol (2423-71-4) + bis(3-isopropyl-4-methoxyphenyl)iodonium tetrafluoroborate → 3,5-dimethyl-4-(3'-isopropyl-4'-methoxyphenoxy)-nitrobenzene (156740-77-1)

Guidance literature:

With copper; triethylamine; In dichloromethane; at 0 ℃; for 120h;

DOI:10.1021/jm00004a015

Reference yield:

3-iso-propyl-4-methoxyphenol (13523-62-1) + 2-chloro-1,3-dimethyl-5-nitro-benzene (38560-96-2) → 3,5-dimethyl-4-(3'-isopropyl-4'-methoxyphenoxy)-nitrobenzene (156740-77-1)

Guidance literature:

With potassium carbonate; In dimethyl sulfoxide;

Reference yield:

→ 3,5-dimethyl-4-(3'-isopropyl-4'-methoxyphenoxy)-nitrobenzene (156740-77-1)

Guidance literature:

upstream raw materials:

2,6-dimethyl-4-nitro phenol

3-iso-propyl-4-methoxyphenol

2-chloro-1,3-dimethyl-5-nitro-benzene

Downstream raw materials:

3,5-Dimethyl-4-(3'-isopropyl-4'-hydroxyphenoxy)-aniline

methyl N-<3,5-dimethyl-4-(4'-methoxy-3'-isopropylphenoxy)phenyl>oxamate

6-(3-isopropyl-4-methoxy-phenoxy)-5,7-dimethyl-4-oxo-1,4-dihydro-quinoline-2-carboxylic acid ethyl ester

4-chloro-6-(3-isopropyl-4-methoxy-phenoxy)-5,7-dimethyl-quinoline-2-carboxylic acid ethyl ester