4-Isopropylaniline

Base Information

• Chemical Name: 4-Isopropylaniline
• CAS No.: 99-88-7
• Molecular Formula: C9H13 N
• Molecular Weight: 135.209
• Hs Code.: 29214980
• European Community (EC) Number: 202-797-2,682-629-6
• NSC Number: 7198
• UNII: 0D54T7V7XL
• DSSTox Substance ID: DTXSID20243932
• Nikkaji Number: J11.624F
• Wikidata: Q27093183
• Metabolomics Workbench ID: 146723
• Mol file: 99-88-7.mol

Synonyms:4-isopropylaniline

Chemical Property of 4-Isopropylaniline

Chemical Property:

• Appearance/Colour: light brown clear liquid
• Vapor Pressure: 0.0855mmHg at 25°C
• Melting Point: -63 ºC
• Refractive Index: n20/D 1.543(lit.)
• Boiling Point: 226-228 ºC
• PKA: 5.01±0.10(Predicted)
• Flash Point: 92 ºC
• PSA: 26.02000
• Density: 0.989
• LogP: 2.97340
• Storage Temp.: Store below +30°C.
• Sensitive.: Light Sensitive
• Solubility.: H2O: insoluble
• Water Solubility.: insoluble
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 135.104799419
• Heavy Atom Count: 10
• Complexity: 90.9

Purity/Quality:

99%min ^*data from raw suppliers

4-Isopropylaniline ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,Xn
• Statements: 36/37/38-20/21/22
• Safety Statements: 26-36-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Amines, Aromatic
• Canonical SMILES: CC(C)C1=CC=C(C=C1)N
• Uses: 4-Isopropylaniline was used in the hydroamination of phenylacetylene.

Technology Process of 4-Isopropylaniline

There total 38 articles about 4-Isopropylaniline 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: 99.0%

4-nitrocumene (1817-47-6) → 4-Isopropylaniline (99-88-7)

Guidance literature:

With triethylamine; In water; at 80 ℃; for 2h; chemoselective reaction; Inert atmosphere; Green chemistry;

DOI:10.1039/c4ra01333f

Reference yield: 90.0%

1,2-Bis(4-isopropylphenyl)diazene (15887-26-0) → 4-Isopropylaniline (99-88-7)

Guidance literature:

With potassium tert-butylate; hydrogen; In tetrahydrofuran; at 130 ℃; for 48h; under 22502.3 Torr; Autoclave;

DOI:10.1002/adsc.202100440

Reference yield: 88.0%

(4-isopropylphenyl)boronic acid (16152-51-5) → 4-Isopropylaniline (99-88-7)

Guidance literature:

With copper(I) oxide; ammonium hydroxide; air; In methanol; at 20 ℃; for 12h;

DOI:10.1002/anie.200805424

upstream raw materials:

Isopropylbenzene

4-nitrocumene

N-Isopropylaniline

4,4'-(1-methyl-ethane-1,1-diyl)-bis-aniline

Downstream raw materials:

4-isopropylphenyl isothiocyanate

4-isopropyl-N,N-dimethylaniline

N-phenyl-(4-isopropyl)aniline

6-(4-Isopropyl-phenylamino)-1H-pyrimidine-2,4-dione

Refernces

• 1、 Ben-David, Yehoshoa,Das, Uttam Kumar,Diskin-Posner, Yael,Kar, Sayan,Milstein, David. "Manganese Catalyzed Hydrogenation of Azo (N=N) Bonds to Amines". supporting information. p. 3744 - 3749. Retrieved 2021/07/09.
• 2、 -. "Synthesis method of aniline compound". Paragraph 0136-0138. . Retrieved 2020/08/09.