1-(2-Methyl-2-phenylpropoxy)-4-nitrobenzene

Base Information

• Chemical Name: 1-(2-Methyl-2-phenylpropoxy)-4-nitrobenzene
• CAS No.: 62517-29-7
• Molecular Formula: C16H17NO3
• Molecular Weight: 271.316
• DSSTox Substance ID: DTXSID40510810
• Wikidata: Q82369321
• Mol file: 62517-29-7.mol

Synonyms:1-(2-Methyl-2-phenylpropoxy)-4-nitrobenzene;62517-29-7;DTXSID40510810;SNUMJBFQBPXHEH-UHFFFAOYSA-N;4-(2,2-dimethyl-2-phenylethyloxy)nitrobenzene

Chemical Property of 1-(2-Methyl-2-phenylpropoxy)-4-nitrobenzene

Chemical Property:

• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 271.12084340
• Heavy Atom Count: 20
• Complexity: 310

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(COC1=CC=C(C=C1)[N+](=O)[O-])C2=CC=CC=C2

Technology Process of 1-(2-Methyl-2-phenylpropoxy)-4-nitrobenzene

There total 1 articles about 1-(2-Methyl-2-phenylpropoxy)-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: 72.0%

2-methyl-2-phenyl-propan-1-ol (2173-69-5) + 4-chlorobenzonitrile (100-00-5) → 4-(2-methyl-2-phenylpropyloxy)nitrobenzene (62517-29-7)

Guidance literature:

With sodium hydride; In dimethyl sulfoxide; at 60 ℃; for 3h;

Reference yield:

4-(2-methyl-2-phenylpropyloxy)nitrobenzene (62517-29-7) → D-tyrosine ethyl ester hydrochloride (23234-43-7)

Guidance literature:

Multi-step reaction with 8 steps

1: H₂ / 10percent Pd/C / benzene; ethanol / 760 Torr / Ambient temperature

2: 1.) 33percent NaNO₂/H₂O, conc. HCl, ethyl acrylate, 2.) Cu₂O / 1.) acetone, ice cooling, 2.) 40 deg C, 2 h

3: 29.1 g / 25percent NaOH/H₂O / methanol

5: 360 mg / 20percent HCl / 4 h / Ambient temperature

6: 220 mg / BBr₃ / CH₂Cl₂ / 0.33 h / Ambient temperature

7: 200 mg / NaN₃ / dimethylsulfoxide; H₂O / 3 h / 90 °C

8: 1.) H₂, 2.) HCl/Et₂O / 1.) 10percent Pd/C / 1.) ethanol, 1 atm, r.t.

With copper(I) oxide; hydrogenchloride; sodium hydroxide; sodium azide; diethyl ether; water; hydrogen; boron tribromide; ethyl acrylate; sodium nitrite; palladium on activated charcoal; In methanol; ethanol; dichloromethane; water; dimethyl sulfoxide; benzene;

Reference yield:

4-(2-methyl-2-phenylpropyloxy)nitrobenzene (62517-29-7) → 4-(2-methyl-2-phenylpropyloxy)aniline (62517-30-0)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; under 760 Torr; Ambient temperature;

DOI:10.1248/cpb.30.3563

upstream raw materials:

2-methyl-2-phenyl-propan-1-ol

4-chlorobenzonitrile

Downstream raw materials:

4-(2-methyl-2-phenylpropyloxy)aniline

2-chloro-3-<4-(2-methyl-2-phenylpropyloxy)phenyl>propionamide

2-chloro-3-<4-(2-methyl-2-phenylpropyloxy)phenyl>propionic acid

ethyl 2-chloro-3-[4-(2,2-dimethyl-2-phenylethyloxy)phenyl]propionate