Benzenamine, 4-ethyl-, hydrochloride

Base Information

• Chemical Name: Benzenamine, 4-ethyl-, hydrochloride
• CAS No.: 59626-77-6
• Molecular Formula: C8H11N.ClH
• Molecular Weight: 157.643
• DSSTox Substance ID: DTXSID40484087
• Mol file: 59626-77-6.mol

Synonyms:Benzenamine, 4-ethyl-, hydrochloride;59626-77-6;4-ethylaniline hydrochloride;SCHEMBL2866143;DTXSID40484087

Chemical Property of Benzenamine, 4-ethyl-, hydrochloride

Chemical Property:

• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 157.0658271
• Heavy Atom Count: 10
• Complexity: 72.6

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC=C(C=C1)N.Cl

Technology Process of Benzenamine, 4-ethyl-, hydrochloride

There total 2 articles about Benzenamine, 4-ethyl-, hydrochloride 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: 85.0%

(4-Nitrophenyl)acetylene (937-31-5) → 4-ethylanilinium hydrochloride (59626-77-6)

Guidance literature:

(4-Nitrophenyl)acetylene; With hydrogen; C₁₉H₁₂N₄^(2-)*C₂H₆OS*Co⁽²⁺⁾; In ethanol; at 120 ℃; for 15h; under 30003 Torr; Autoclave;

With hydrogenchloride; In water;

DOI:10.1002/ejoc.202100073

Reference yield:

4-aminoethylbenzene (589-16-2) → 4-ethylanilinium hydrochloride (59626-77-6)

Guidance literature:

Multi-step reaction with 2 steps

1: di-isopropyl ether

2: hydrogenchloride / water; ethanol / 40 °C

With hydrogenchloride; In ethanol; di-isopropyl ether; water;

DOI:10.1002/kin.20925

Reference yield: 70.0%

tetrakis(tetrabutylammonium) octamolybdate + 4-ethylanilinium hydrochloride (59626-77-6) → C8H9Mo6NO18(2-)*2C16H36N(1+)

Guidance literature:

With dicyclohexyl-carbodiimide; In acetonitrile; for 6h; Reflux;

DOI:10.1016/j.inoche.2013.11.001

upstream raw materials:

4-aminoethylbenzene

(4-Nitrophenyl)acetylene

Downstream raw materials:

N⁶-(4-Ethyl-phenyl)-9H-purine-2,6-diamine

3-(4-Ethylphenyl)-3,7-dihydro-2,5-dimethyl-4H-pyrrolo<2,3-d>pyrimidin-4-imine

6-Benzyl-3-(4-ethyl-phenyl)-2,5-dimethyl-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one

(5,6-Dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-(4-ethyl-phenyl)-amine