4-Isopropoxyaniline

Base Information

• Chemical Name: 4-Isopropoxyaniline
• CAS No.: 7664-66-6
• Molecular Formula: C9H13 N O
• Molecular Weight: 151.208
• Hs Code.: 2922299090
• European Community (EC) Number: 231-636-9
• DSSTox Substance ID: DTXSID90227461
• Nikkaji Number: J208.654I
• Wikidata: Q72485565
• Mol file: 7664-66-6.mol

Synonyms:4-Isopropoxyaniline;7664-66-6;4-Isopropoxybenzenamine;4-(propan-2-yloxy)aniline;p-Isopropoxyaniline;4-propan-2-yloxyaniline;Benzenamine, 4-(1-methylethoxy)-;MFCD00059188;EINECS 231-636-9;4-Isopropoxy-phenylamine;4-isopropyloxyaniline;4-isopropoxy-aniline;4-(isopropoxy)aniline;4-isopropoxyphenylamine;4-Isopropoxyaniline #;FERRICCHROMATE,BASIC;SCHEMBL5563;4-(1-Methylethoxy)benzenamine;4-[(1-Methylethyl)oxy]aniline;DTXSID90227461;BBL028078;STK500982;AKOS000104826;AM83272;SB40523;AC-20006;AS-15331;SY050495;BB 0216422;CS-0051136;FT-0636551;I0399;EN300-36081;W-104353

Chemical Property of 4-Isopropoxyaniline

Chemical Property:

• Vapor Pressure: 0.0175mmHg at 25°C
• Melting Point: 244 °C (decomp)
• Refractive Index: 1.5430-1.5470
• Boiling Point: 95°C 0,4mm
• PKA: 6.15±0.10(Predicted)
• Flash Point: 110.6°C
• PSA: 35.25000
• Density: 1.03
• LogP: 2.63720
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 151.099714038
• Heavy Atom Count: 11
• Complexity: 106

Purity/Quality:

97% ^*data from raw suppliers

4-Isopropoxyaniline >98.0%(GC)(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OC1=CC=C(C=C1)N

Technology Process of 4-Isopropoxyaniline

There total 22 articles about 4-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: 74.0%

sodium isopropylate (683-60-3) + p-aminoiodobenzene (540-37-4) → 4-(isopropoxy)aniline (7664-66-6)

Guidance literature:

With hemicucurbituril supported [Bmim]Cl; In toluene; for 10h; Reflux;

DOI:10.1007/s10562-016-1871-x

Reference yield: 73.0%

1-bromo-4-isopropoxybenzene (6967-88-0) → 4-(isopropoxy)aniline (7664-66-6)

Guidance literature:

With ammonium hydroxide; copper(l) iodide; N,N'-bis(3,5-dimethoxyphenyl)cyclopentane-1,1-dicarboxamide; caesium carbonate; In dimethyl sulfoxide; at 90 ℃; for 24h; Inert atmosphere; Sealed tube;

DOI:10.1016/j.tetlet.2020.151683

Reference yield: 73.0%

sodium isopropylate (683-60-3) + 4-bromo-aniline (106-40-1) → 4-(isopropoxy)aniline (7664-66-6)

Guidance literature:

With hemicucurbituril supported [Bmim]Cl; In toluene; for 9h; Reflux;

DOI:10.1007/s10562-016-1871-x

upstream raw materials:

1-isopropoxy-4-nitrobenzene

N-(4-isopropoxyphenyl)acetamide

N-(4-hydroxyphenyl)formamide

isopropyl bromide

Downstream raw materials:

thioisonicotinic acid-(4-isopropoxy-anilide)

N-(2-isopropoxy-phenyl)-N'-(4-isopropoxy-phenyl)-acetamidine

N-(4-isopropoxyphenyl)acetamide

N-Chloracetyl-4-isopropyloxy-anilin