4-Ethylbenzylamine

Base Information

• Chemical Name: 4-Ethylbenzylamine
• CAS No.: 7441-43-2
• Molecular Formula: C9H13N
• Molecular Weight: 135.209
• Hs Code.: 29214990
• European Community (EC) Number: 819-383-8
• DSSTox Substance ID: DTXSID90397633
• Nikkaji Number: J1.916.667H
• ChEMBL ID: CHEMBL217135
• Mol file: 7441-43-2.mol

Synonyms:4-ethylbenzylamine;7441-43-2;(4-ethylphenyl)methanamine;1-(4-ethylphenyl)methanamine;Benzenemethanamine, 4-ethyl-;4-ethyl benzylamine;4-ethyl-benzylamine;(4-ethylbenzyl)amine;4-ethyl-benzyl amine;SCHEMBL240341;CHEMBL217135;DTXSID90397633;DGAGEFUEKIORSQ-UHFFFAOYSA-N;STR11378;MFCD01529871;STK503377;AKOS000128732;AMY202100121;CS-0206719;FT-0676571;EN300-33150;Z239626560

Chemical Property of 4-Ethylbenzylamine

Chemical Property:

• Vapor Pressure: 0.122mmHg at 25°C
• Refractive Index: 1.534
• Boiling Point: 219.1 °C at 760 mmHg
• PKA: 9.20±0.10(Predicted)
• Flash Point: 90.8 °C
• PSA: 26.02000
• Density: 0.95 g/cm³
• LogP: 2.40800
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 135.104799419
• Heavy Atom Count: 10
• Complexity: 82.7

Purity/Quality:

98%Min ^*data from raw suppliers

1-(4-Ethylphenyl)methanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC1=CC=C(C=C1)CN

Technology Process of 4-Ethylbenzylamine

There total 9 articles about 4-Ethylbenzylamine 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: 94.0%

1-[4-(aminomethyl)phenyl]ethan-1-one (87171-25-3) → 4-ethylbenzylamine (7441-43-2)

Guidance literature:

With hydrogen; In para-xylene; at 80 ℃; for 24h; under 750.075 Torr; chemoselective reaction; Glovebox; Sealed tube;

DOI:10.1021/acs.inorgchem.1c01008

Reference yield: 77.0%

1-ethyl-4-methylamino-2,5-cyclohexadiene-1-carboxylic acid (1202873-20-8) → 4-ethylbenzylamine (7441-43-2)

Guidance literature:

With chlorosulfonic acid; In dichloromethane; at 0 ℃; for 0.166667h;

DOI:10.1002/chem.200901774

Reference yield: 73.0%

1-ethyl-4-(nitromethyl)benzene (33241-76-8) → 4-ethylbenzylamine (7441-43-2)

Guidance literature:

With 15-crown-5; sodium; In tetrahydrofuran; isopropyl alcohol; mineral oil; at 0 ℃; for 0.0833333h; Inert atmosphere;

upstream raw materials:

ammonium formate

4-ethylbenzylaldehyde

ammonia

1-ethyl-4-methylamino-2,5-cyclohexadiene-1-carboxylic acid

Downstream raw materials:

3-chloro-propionic acid-(4-ethyl-benzylamide)

N-(4-ethylbenzyl)-N'-(1-methyl-1H-indazol-4-yl)urea

N-(4-ethylphenyl)methyl-2-aminonicotinic acid amide

Refernces

• 1、 Jia, Zhi-Jun,Gao, Shilong,Arnold, Frances H.. "Enzymatic Primary Amination of Benzylic and Allylic C(sp3)-H Bonds". supporting information. p. 10279 - 10283. Retrieved 2020/07/27.
• 2、 Krueger, Tobias,Vorndran, Katja,Linker, Torsten. "Regioselective arene functionalization: Simple substitution of carboxylate by alkyl groups". experimental part. p. 12082 - 12091. Retrieved 2010/05/17.