2-Propylaniline

Base Information

• Chemical Name: 2-Propylaniline
• CAS No.: 1821-39-2
• Molecular Formula: C9H13N
• Molecular Weight: 135.209
• Hs Code.: 2921420090
• European Community (EC) Number: 217-346-5
• UNII: KDP5MSE5C0
• DSSTox Substance ID: DTXSID40171248
• Nikkaji Number: J55.231C
• Wikidata: Q27093941
• Metabolomics Workbench ID: 147516
• Mol file: 1821-39-2.mol

Synonyms:2-Propylaniline;1821-39-2;Benzenamine, 2-propyl-;2-PROPYL-ANILINE;o-Propylaniline;2-n-Propylaniline;o-Aminopropylbenzene;Aniline, o-propyl-;ANILINE, 2-PROPYL-;1-Amino-2-propylbenzene;2-Propylbenzenamine;EINECS 217-346-5;KDP5MSE5C0;BRN 0636589;2-propyl aniline;o-n-propylaniline;2-Propylaniline, 97%;UNII-KDP5MSE5C0;SCHEMBL43944;PRY;WKURVXXDGMYSDP-UHFFFAOYSA-;DTXSID40171248;STR07512;MFCD00009803;AKOS005257545;DB02970;SB75392;L-ERYTHRO-4-FLUORO-GLUTAMIC ACID;LS-19980;1-phenylpropan-1-amine;2-PROPYLANILINE;CS-0152410;FT-0613236;P1113;EN300-33505;A812656;J-011658;Q27093941;Z336087926

Chemical Property of 2-Propylaniline

Chemical Property:

• Vapor Pressure: 0.272mmHg at 25°C
• Melting Point: -6.87°C (estimate)
• Refractive Index: n20/D 1.547(lit.)
• Boiling Point: 222.999 °C at 760 mmHg
• PKA: 4.06±0.10(Predicted)
• Flash Point: 97.778 °C
• PSA: 26.02000
• Density: 0.959 g/cm³
• LogP: 2.80250
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 135.104799419
• Heavy Atom Count: 10
• Complexity: 90.7

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Propylaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-20/21/22
• Safety Statements: 26-37/39-36/37/39-23

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Amines, Aromatic
• Canonical SMILES: CCCC1=CC=CC=C1N

Technology Process of 2-Propylaniline

There total 40 articles about 2-Propylaniline 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:

quinoline (91-22-5) + Diisobutylaluminium hydride(1 M solution in tetrahydrofuran, 4.9 mL, 4.9 mmol) → 2-propylaniline (1821-39-2)

Guidance literature:

at 160 ℃;

Reference yield:

quinoline (91-22-5) → 2-propylaniline (1821-39-2)

Guidance literature:

With diisobutylaluminium hydride;

Reference yield:

1-nitro-2-propyl-benzene (7137-54-4) → 2-propylaniline (1821-39-2)

Guidance literature:

With ethanol; nickel; Hydrogenation;

upstream raw materials:

quinoline

1-nitro-2-propyl-benzene

phenylpropane

N-(2-propylphenyl)benzamide

Downstream raw materials:

acetic acid-(2-propyl-anilide)

2-propylcyclohexylamine

propylcyclohexane

1-propylcyclohexene

Refernces

• 1、 Jiang, Zongxuan,Li, Can,Liu, Tiefeng,Liu, Xinyi,Zhang, Cen. "Effect of Zr on catalytic performance of unsupported Ni(Zr)Mo and Ni(Zr)W sulfide catalysts for quinoline hydrodenitrogenation". . . Retrieved 2020/08/19.
• 2、 Albersberger, Sylvia,Hein, Jennifer,Schreiber, Moritz W.,Guerra, Santiago,Han, Jinyi,Gutiérrez, Oliver Y.,Lercher, Johannes A.. "Simultaneous hydrodenitrogenation and hydrodesulfurization on unsupported Ni-Mo-W sulfides". . p. 344 - 355. Retrieved 2017/09/30.