2-Isopropoxyaniline

Base Information

• Chemical Name: 2-Isopropoxyaniline
• CAS No.: 29026-74-2
• Molecular Formula: C9H13 N O
• Molecular Weight: 151.208
• Hs Code.: 2922299090
• European Community (EC) Number: 249-377-5
• UNII: 8M3MFC22JX
• DSSTox Substance ID: DTXSID20183268
• Nikkaji Number: J286.504A
• Wikidata: Q72490541
• Mol file: 29026-74-2.mol

Synonyms:2-isopropoxyaniline;o-isopropoxyaniline;ortho-isopropoxyaniline

Chemical Property of 2-Isopropoxyaniline

Chemical Property:

• Vapor Pressure: 0.0349mmHg at 25°C
• Melting Point: 139-141℃
• Refractive Index: 1.5380 (estimate)
• Boiling Point: 242°Cat760mmHg
• PKA: 5.17±0.10(Predicted)
• Flash Point: 100.6°C
• PSA: 35.25000
• Density: 1.014g/cm³
• LogP: 2.63720
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 151.099714038
• Heavy Atom Count: 11
• Complexity: 114

Purity/Quality:

98%min ^*data from raw suppliers

2-Isopropoxy-phenylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OC1=CC=CC=C1N

Technology Process of 2-Isopropoxyaniline

There total 6 articles about 2-Isopropoxyaniline 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: 97.0%

1-isopropoxy-2-nitrobenzene (38753-50-3) → 2-isopropoxy-phenylamine (29026-74-2)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethanol; for 2h; under 2068.65 Torr;

DOI:10.1021/ol201657p

Reference yield: 91.0%

→ 2-isopropoxy-phenylamine (29026-74-2)

Guidance literature:

Reference yield: 52.0%

2-amino-phenol (95-55-6) + isopropyl bromide (75-26-3) → 2-isopropoxy-phenylamine (29026-74-2)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; mineral oil; at 20 ℃; for 24h;

DOI:10.3390/molecules20069767

upstream raw materials:

1-isopropoxy-2-nitrobenzene

2-hydroxynitrobenzene

2-iodo-propane

sodium o-nitrophenate

Downstream raw materials:

2-bromo-N-(2-isopropoxyphenyl)acetamide

2-(2-Isopropoxy-phenylamino)-1-phenyl-propan-1-one

o-Isopropoxy-phenylisocyanat

ethyl 1,6-dihydro-2-[2-(1-methylethoxy)anilino]-6-oxo-5-pyrimidinecarboxylate

Refernces

• 1、 Kapustikova, Iva,Bak, Andrzej,Gonec, Tomas,Kos, Jiri,Kozik, Violetta,Jampilek, Josef. "Investigation of hydro-lipophilic properties of n-alkoxyphenylhydroxynaphthalenecarboxamides ?". . . Retrieved 2018/07/10.
• 2、 Gonec, Tomas,Zadrazilova, Iveta,Nevin, Eoghan,Kauerova, Tereza,Pesko, Matus,Kos, Jiri,Oravec, Michal,Kollar, Peter,Coffey, Aidan,O'Mahony, Jim,Cizek, Alois,Kralova, Katarina,Jampilek, Josef. "Synthesis and Biological Evaluation of N-Alkoxyphenyl-3-hydroxynaphthalene-2-carboxanilides". . p. 9767 - 9787. Retrieved 2015/08/06.