3-Isopropyl-4-methoxyaniline

Base Information

• Chemical Name: 3-Isopropyl-4-methoxyaniline
• CAS No.: 91251-42-2
• Molecular Formula: C10H15 N O
• Molecular Weight: 165.235
• Hs Code.: 2922299090
• DSSTox Substance ID: DTXSID10564461
• Wikidata: Q82449153
• Mol file: 91251-42-2.mol

Synonyms:3-Isopropyl-4-methoxyaniline;91251-42-2;4-amino-2-isopropylanisol;4-methoxy-3-propan-2-ylaniline;4-Methoxy-3-(propan-2-yl)aniline;3-Isopropyl-4-methoxyanilin;SCHEMBL2973838;DTXSID10564461;IQZLIGNZLCVEKN-UHFFFAOYSA-N;GS2770;MFCD00026403;AKOS015963557;DS-3009;SB76442;AC-17927;CS-0154301;C77115;EN300-364400;A860561

Chemical Property of 3-Isopropyl-4-methoxyaniline

Chemical Property:

• Vapor Pressure: 0.004mmHg at 25°C
• Refractive Index: 1.532
• Boiling Point: 279.281°C at 760 mmHg
• Flash Point: 124.601°C
• PSA: 35.25000
• Density: 0.997g/cm³
• LogP: 2.98200
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 165.115364102
• Heavy Atom Count: 12
• Complexity: 136

Purity/Quality:

97% ^*data from raw suppliers

3-Isopropyl-4-methoxyaniline >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=C(C=CC(=C1)N)OC

Technology Process of 3-Isopropyl-4-methoxyaniline

There total 4 articles about 3-Isopropyl-4-methoxyaniline 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: 75.0%

2-Isopropyl-1-methoxy-4-nitro-benzene (1706-81-6) → 3-Isopropyl-4-methoxy-phenylamine (91251-42-2)

Guidance literature:

With hydrogenchloride; tin;

DOI:10.1021/jm00109a022

Reference yield:

4‐nitro‐2‐(propan‐2‐yl)phenol (60515-72-2) → 3-Isopropyl-4-methoxy-phenylamine (91251-42-2)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) KOH, EtOH, (ii) /BRN= 969135/

2: H₂ / Pd-C / ethanol

With hydrogen; palladium on activated charcoal; In ethanol;

DOI:10.1021/jm00341a020

Reference yield:

o-isopropylanisole (2944-47-0) → 3-Isopropyl-4-methoxy-phenylamine (91251-42-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 68 percent / HNO₃ / 0 °C

2: 75 percent / Sn, conc. HCl

With hydrogenchloride; tin; nitric acid;

DOI:10.1021/jm00109a022

upstream raw materials:

2-Isopropyl-1-methoxy-4-nitro-benzene

o-isopropylanisole

4‐nitro‐2‐(propan‐2‐yl)phenol

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