N-Ethyl-N-isopropylaniline

Base Information

• Chemical Name: N-Ethyl-N-isopropylaniline
• CAS No.: 54813-77-3
• Molecular Formula: C11H17N
• Molecular Weight: 163.263
• Hs Code.: 2921420090
• European Community (EC) Number: 625-565-6
• DSSTox Substance ID: DTXSID40400641
• Nikkaji Number: J990.928A
• Wikidata: Q82203647
• Mol file: 54813-77-3.mol

Synonyms:N-Ethyl-N-isopropylaniline;54813-77-3;N-ethyl-N-propan-2-ylaniline;BIDD:GT0610;SCHEMBL2398343;DTXSID40400641;N-ethyl-N-(propan-2-yl)aniline;LHGCJZLKSBOOTD-UHFFFAOYSA-N;N-Ethyl-N-isopropylaniline, 97%;FT-0693738

Chemical Property of N-Ethyl-N-isopropylaniline

Chemical Property:

• Vapor Pressure: 0.0771mmHg at 25°C
• Melting Point: 46.25°C (estimate)
• Refractive Index: n20/D 1.534(lit.)
• Boiling Point: 223-225 °C(lit.)
• PKA: 7.38±0.20(Predicted)
• Flash Point: 194 °F
• PSA: 3.24000
• Density: 0.926 g/mL at 25 °C(lit.)
• LogP: 2.92130
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 163.136099547
• Heavy Atom Count: 12
• Complexity: 114

Purity/Quality:

98%Min ^*data from raw suppliers

N-Ethyl-N-isopropylaniline 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCN(C1=CC=CC=C1)C(C)C

Technology Process of N-Ethyl-N-isopropylaniline

There total 6 articles about N-Ethyl-N-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%

N-isopropyl-N-phenyl-acetamide (5461-51-8) → N-ethyl-N-isopropylaniline (54813-77-3) + N-Isopropylaniline (768-52-5)

Guidance literature:

With triethyl borane; Triethoxysilane; sodium hydroxide; In hexane; at 80 ℃; for 6h; Solvent; Reagent/catalyst; Inert atmosphere; Sealed tube;

Reference yield: 99.0%

N-isopropyl-N-phenyl-acetamide (5461-51-8) → N-ethyl-N-isopropylaniline (54813-77-3)

Guidance literature:

With Triethoxysilane; sodium triethylborohydride; In hexane; at 80 ℃; for 6h; Schlenk technique; Glovebox; Sealed tube; Inert atmosphere;

DOI:10.1021/acs.joc.9b02211

Reference yield: 84.0%

→ N-ethyl-N-isopropylaniline (54813-77-3)

Guidance literature:

upstream raw materials:

2-iodo-propane

N-ethyl-N-phenylamine

N-isopropyl-N-phenyl-acetamide

isopropylboronic acid

Downstream raw materials:

isopropyl-phenyl-carbamonitrile

N-isopropylethylamine

N-isopropyl-N,N-dimethyl-anilinium; iodide

2-(ethyl-isopropyl-amino)-ethanol

Refernces

• 1、 Roscales, Silvia,Csáky, Aurelio G.. "Transition-Metal-Free Three-Component Synthesis of Tertiary Aryl Amines from Nitro Compounds, Boronic Acids, and Trialkyl Phosphites". supporting information. p. 111 - 117. Retrieved 2019/11/16.
• 2、 Yao, Wubing,He, Lili,Han, Deman,Zhong, Aiguo. "Sodium Triethylborohydride-Catalyzed Controlled Reduction of Unactivated Amides to Secondary or Tertiary Amines". . p. 14627 - 14635. Retrieved 2019/12/02.