4-Isobutoxyaniline

Base Information

• Chemical Name: 4-Isobutoxyaniline
• CAS No.: 5198-04-9
• Molecular Formula: C10H15NO
• Molecular Weight: 165.235
• Hs Code.: 2922299090
• European Community (EC) Number: 829-614-4
• DSSTox Substance ID: DTXSID60407697
• Mol file: 5198-04-9.mol

Synonyms:4-Isobutoxyaniline;4-Isobutoxy-phenylamine;5198-04-9;4-(2-methylpropoxy)aniline;(4-isobutoxyphenyl)amine;MFCD01009861;4-isobutoxybenzenamine;4-isobutoxy phenylamine;SCHEMBL109648;DTXSID60407697;NDHJFACYRWUMHT-UHFFFAOYSA-N;4-isobutoxy-phenylamine, AldrichCPR;AKOS000104100;FS-4475;SB75774;CS-0313503;FT-0677868

Chemical Property of 4-Isobutoxyaniline

Chemical Property:

• Vapor Pressure: 0.0066mmHg at 25°C
• Boiling Point: 271.1oC at 760 mmHg
• PKA: 5.15±0.10(Predicted)
• Flash Point: 117.9oC
• PSA: 35.25000
• Density: 0.997g/cm3
• LogP: 2.88480
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 165.115364102
• Heavy Atom Count: 12
• Complexity: 117

Purity/Quality:

98%Min ^*data from raw suppliers

4-Isobutoxy-phenylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 43
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)COC1=CC=C(C=C1)N

Technology Process of 4-Isobutoxyaniline

There total 8 articles about 4-Isobutoxyaniline 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: 100.0%

N-[4-(2-methylpropoxy)phenyl]acetamide (26455-37-8) → 4-(2-methylpropoxy)aniline (5198-04-9)

Guidance literature:

With hydrogenchloride; water; In methanol; at 100 ℃; for 1h; Microwave irradiation;

Reference yield: 99.0%

1-(2-methylpropoxy)-4-nitrobenzene (57027-72-2) → 4-(2-methylpropoxy)aniline (5198-04-9)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In ethyl acetate; at 20 ℃; for 2h; under 2327.23 Torr;

Reference yield: 78.0%

Isobutyl bromide (78-77-3) + 4-amino-phenol (123-30-8) → 4-(2-methylpropoxy)aniline (5198-04-9)

Guidance literature:

With tetra-(n-butyl)ammonium iodide; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 60 ℃; for 12h; Inert atmosphere;

upstream raw materials:

N-[4-(2-methylpropoxy)phenyl]acetamide

1-(2-methylpropoxy)-4-nitrobenzene

Isobutyl bromide

4-amino-phenol

Downstream raw materials:

N-(4-ethoxy-phenyl)-N'-(4-isobutoxy-phenyl)-thiourea

N-[4-(2-diethylamino-ethoxy)-phenyl]-N'-(4-isobutoxy-phenyl)-thiourea

N,N'-bis-(4-isobutoxy-phenyl)-thiourea

Refernces

• 1、 Piotto, Stefano,Concilio, Simona,Sessa, Lucia,Diana, Rosita,Torrens, Gabriel,Juan, Carlos,Caruso, Ugo,Iannelli, Pio. "Synthesis and antimicrobial studies of new antibacterial azo-compounds active against staphylococcus aureus and listeria monocytogenes". . . Retrieved 2017/08/29.
• 2、 -. "SUBSTITUTED TRICYCLIC COMPOUNDS WITH ACTIVITY TOWARDS EP1 RECEPTORS". Page/Page column 90. . Retrieved 2013/10/22.