2-Amino-4-isopropylphenol

Base Information

• Chemical Name: 2-Amino-4-isopropylphenol
• CAS No.: 3280-68-0
• Molecular Formula: C9H13NO
• Molecular Weight: 151.208
• Hs Code.: 2922299090
• European Community (EC) Number: 660-023-2
• DSSTox Substance ID: DTXSID80349803
• Nikkaji Number: J2.458.837H
• Wikidata: Q82125284
• ChEMBL ID: CHEMBL1545498
• Mol file: 3280-68-0.mol

Synonyms:2-Amino-4-isopropylphenol;3280-68-0;2-amino-4-propan-2-ylphenol;2-amino-4-(propan-2-yl)phenol;2-Amino-4-isopropyl-phenol;Phenol, 2-amino-4-(1-methylethyl)-;MFCD00092806;Oprea1_106896;2-hydroxy-5-isopropylaniline;MLS000036527;SCHEMBL1025312;CHEMBL1545498;REGID_for_CID_662440;DTXSID80349803;HMS1788L16;HMS2411C13;KUC106728N;BBL008043;STK063270;AKOS000108845;CCG-302299;SB76127;NCGC00019530-01;NCGC00019530-02;KSC-11-219-6;SMR000035868;VS-01799;BB 0245397;CS-0186539;D97514;EN300-1256367;Z57441596

Chemical Property of 2-Amino-4-isopropylphenol

Chemical Property:

• Melting Point: 136 °C
• Boiling Point: 255.2 °C at 760 mmHg
• PKA: 10.04±0.18(Predicted)
• Flash Point: 108.2 °C
• PSA: 46.25000
• Density: 1.078 g/cm³
• LogP: 2.67900
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 1.9
• 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

2-amino-4-isopropylphenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Amino-4-isopropylphenol

There total 5 articles about 2-Amino-4-isopropylphenol 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: 46.0%

4-isopropyl-2-nitrophenol (1576-10-9) → 2-Amino-4-isopropyl-phenol (3280-68-0)

Guidance literature:

With ammonium chloride; zinc; In ethanol; water; for 0.416667h;

Reference yield:

4-Isopropylaniline (99-88-7) → 2-Amino-4-isopropyl-phenol (3280-68-0)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous H₂SO₄; NaNO₂ / Erwaermen der erhaltenen Diazoniumsalz-Loesung auf 50-60grad

2: aqueous NaOH-solution / Hydrieren des Reaktionsprodukts an Palladium in Methanol

With sodium hydroxide; sulfuric acid; sodium nitrite;

DOI:10.1021/ja01846a078

Reference yield:

4-Isopropylphenol (99-89-8) + benzenediazonium (2684-02-8) → 2-Amino-4-isopropyl-phenol (3280-68-0)

Guidance literature:

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

DOI:10.1021/ja01846a078

upstream raw materials:

4-Isopropylphenol

benzenediazonium

4-isopropyl-2-nitrophenol

4-Isopropylaniline

Downstream raw materials:

2-Dimethylamino-4-isopropyl-phenol

4-(2-Hydroxy-5-isopropylanilino)-2-(2-pyridinyl)-6-trifluoromethylpyrimidine

Refernces

• 1、 -. "HARMFUL ARTHROPOD CONTROL COMPOSITION, AND FUSED HETEROCYCLIC COMPOUND". Page/Page column 75-76. . Retrieved 2011/04/13.
• 2、 -. "COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS". Page/Page column 201-202. . Retrieved 2011/05/06.