4-Amino-3-(isopropyl)phenol

Base Information

• Chemical Name: 4-Amino-3-(isopropyl)phenol
• CAS No.: 82774-61-6
• Molecular Formula: C9H13NO
• Molecular Weight: 151.208
• European Community (EC) Number: 280-026-9
• DSSTox Substance ID: DTXSID101002882
• Nikkaji Number: J320.430H
• Wikidata: Q82997220
• Mol file: 82774-61-6.mol

Synonyms:4-Amino-3-(isopropyl)phenol;82774-61-6;4-Amino-3-(1-methylethyl)phenol;4-amino-3-propan-2-ylphenol;EINECS 280-026-9;4-Amino-5-isopropylphenol;4-Amino-3-isopropylphenol #;SCHEMBL3844817;DTXSID101002882;ZB1176;MB22448;Phenol, 4-amino-3-(1-methylethyl)-;4-AMINO-3-(PROPAN-2-YL)PHENOL;4-AMINO-3-(1-METHYLETHYL)-PHENOL

Chemical Property of 4-Amino-3-(isopropyl)phenol

Chemical Property:

• Vapor Pressure: 0.000455mmHg at 25°C
• Boiling Point: 305.4°Cat760mmHg
• Flash Point: 138.5°C
• PSA: 46.25000
• Density: 1.078g/cm³
• LogP: 2.67900
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 151.099714038
• Heavy Atom Count: 11
• Complexity: 125

Purity/Quality:

99% ^*data from raw suppliers

4-amino-3-isopropylphenol ^*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)O)N

Technology Process of 4-Amino-3-(isopropyl)phenol

There total 4 articles about 4-Amino-3-(isopropyl)phenol 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:

3-isopropyl-4-nitroso-phenol (32416-70-9) → 3-(1-methylethyl)-4-aminophenol (82774-61-6)

Guidance literature:

With nickel; isopropyl alcohol; Hydrogenation;

DOI:10.1021/jo01372a011

Reference yield:

3-isopropylhydroxybenzene (618-45-1) → 3-(1-methylethyl)-4-aminophenol (82774-61-6)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium nitrite; aq. HCl / ethanol / 2 h

2: H₂; HCl / Pd/C / tetrahydrofuran / atmospheric pressure

With hydrogenchloride; hydrogen; sodium nitrite; palladium on activated charcoal; In tetrahydrofuran; ethanol;

DOI:10.1021/ja0025548

Reference yield:

benzenediazonium (2684-02-8) + 3-isopropylhydroxybenzene (618-45-1) → 3-(1-methylethyl)-4-aminophenol (82774-61-6)

Guidance literature:

With sodium hydroxide; water; Hydrieren des Reaktionsprodukts an Palladium in Methanol;

DOI:10.1021/ja01846a078

upstream raw materials:

benzenediazonium

3-isopropylhydroxybenzene

3-isopropyl-4-nitroso-phenol

Downstream raw materials:

4-[Bis-(2-hydroxy-ethyl)-amino]-3-isopropyl-phenol

(Z)-3-(4-Acetoxy-2-isopropyl-phenylamino)-but-2-enoic acid methyl ester

(S)-2-{4-[Bis-(2-chloro-ethyl)-amino]-3-isopropyl-phenoxycarbonylamino}-pentanedioic acid dibenzyl ester

(S)-2-{4-[Bis-(2-chloro-ethyl)-amino]-3-isopropyl-phenoxycarbonylamino}-pentanedioic acid