(3,4-Dichloro-phenyl)-ethyl-amine

Base Information

• Chemical Name: (3,4-Dichloro-phenyl)-ethyl-amine
• CAS No.: 17847-40-4
• Molecular Formula: C8H9 Cl2 N
• Molecular Weight: 190.072
• Hs Code.: 2921490090
• DSSTox Substance ID: DTXSID00549929
• Mol file: 17847-40-4.mol

Synonyms:17847-40-4;(3,4-DICHLORO-PHENYL)-ETHYL-AMINE;3,4-DICHLORO-N-ETHYLANILINE;Benzenamine, 3,4-dichloro-N-ethyl-;3,4-Dichloro-N-ethylbenzenamine;(3,4-Dichlorophenyl)-ethyl-amine;SCHEMBL1799567;DTXSID00549929;AB1379;MFCD03210687;AKOS000237791;SB34363;AS-61844;CS-0340517;EN300-164326;(3,4-Dichloro-phenyl)-ethyl-amine, AldrichCPR

Chemical Property of (3,4-Dichloro-phenyl)-ethyl-amine

Chemical Property:

• PSA: 12.03000
• LogP: 3.49820
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 189.0112047
• Heavy Atom Count: 11
• Complexity: 119

Purity/Quality:

97% ^*data from raw suppliers

(3,4-Dichloro-phenyl)-ethyl-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCNC1=CC(=C(C=C1)Cl)Cl

Technology Process of (3,4-Dichloro-phenyl)-ethyl-amine

There total 3 articles about (3,4-Dichloro-phenyl)-ethyl-amine 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: 90.0%

N-(3,4-dichlorophenyl)acetamide (2150-93-8) → N-ethyl-3,4-dichloroaniline (17847-40-4)

Guidance literature:

With zirconium(IV) borohydride; In tetrahydrofuran; at 25 ℃; for 2h;

DOI:10.1080/00397910008087061

Reference yield: 75.0%

N-(3,4-dichlorophenyl)acetamide (2150-93-8) → N-ethyl-3,4-dichloroaniline (17847-40-4) + m,p-dichloroaniline (95-76-1)

Guidance literature:

With [bis(2-methylallyl)cycloocta-1,5-diene]ruthenium(II); formic acid; bis(trifluoromethanesulfonyl)amide; triethylamine; [2-((diphenylphospino)methyl)-2-methyl-1,3-propanediyl]bis[diphenylphosphine]; In dibutyl ether; at 130 ℃; for 24h;

DOI:10.1002/adsc.201900406

Reference yield:

m,p-dichloroaniline (95-76-1) → N-ethyl-3,4-dichloroaniline (17847-40-4)

Guidance literature:

Multi-step reaction with 2 steps

2: LiAlH₄ / diethyl ether / Heating

With lithium aluminium tetrahydride; In diethyl ether;

upstream raw materials:

N-(3,4-dichlorophenyl)acetamide

m,p-dichloroaniline

Downstream raw materials:

(3,4-Dichloro-phenyl)-ethyl-carbamic acid 3-prop-2-ynyloxycarbonylamino-phenyl ester

N-Butyryl-N-aethyl-3,4-dichlor-anilin

N-Propionyl-N-aethyl-3,4-dichlor-anilin

N-Acetyl-N-aethyl-3,4-dichlor-anilin