Ethanone, 2-chloro-1-[4-(dimethylamino)phenyl]- (9CI)

Base Information

• Chemical Name: Ethanone, 2-chloro-1-[4-(dimethylamino)phenyl]- (9CI)
• CAS No.: 110945-00-1
• Molecular Formula: C₁₀H₁₂ClNO
• Molecular Weight: 197.664
• Hs Code.: 2922290090
• Mol file: 110945-00-1.mol

Synonyms:2-Chloro-1-[4-(dimethylamino)phenyl]ethanone;2-Chloro-4'-(dimethylamino)acetophenone;4-(N,N-Dimethylamino)phenacyl bromide;

Chemical Property of Ethanone, 2-chloro-1-[4-(dimethylamino)phenyl]- (9CI)

Chemical Property:

• Vapor Pressure: 0.00022mmHg at 25°C
• Refractive Index: 1.564
• Boiling Point: 326.1 °C at 760 mmHg
• PKA: 1.60±0.12(Predicted)
• Flash Point: 151 °C
• PSA: 20.31000
• Density: 1.16 g/cm³
• LogP: 2.17410

Purity/Quality:

98%Min ^*data from raw suppliers

2-Chloro-1-(4-(dimethylamino)phenyl)ethanone 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Ethanone, 2-chloro-1-[4-(dimethylamino)phenyl]- (9CI)

There total 2 articles about Ethanone, 2-chloro-1-[4-(dimethylamino)phenyl]- (9CI) 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: 20.0%

4'-dimethylaminoacetophenone (2124-31-4) → 2-γ-chloro-p-(N,N-dimethylamino)acetophenone (110945-00-1)

Guidance literature:

With N-chloro-succinimide; thiourea; In methanol; at 20 ℃; for 2h; Inert atmosphere;

DOI:10.1002/adsc.201701227

Reference yield:

2-bromo-1-(4-(dimethylamino)phenyl)ethanone (37904-72-6) → 2-γ-chloro-p-(N,N-dimethylamino)acetophenone (110945-00-1)

Guidance literature:

tribenzylamine hydrochloride; In chloroform;

DOI:10.1002/mrc.1260250218

Reference yield:

2-γ-chloro-p-(N,N-dimethylamino)acetophenone (110945-00-1) → (-)-2-chloro-1-(4-(dimethylamino)phenyl)ethan-1-ol + C10H14ClNO

Guidance literature:

With formic acid; C₃₁H₃₃N₂O₃RuS; potassium formate; In water; ethyl acetate; at 60 ℃; for 8h; Overall yield = 90 %; Overall yield = 0.539 g; enantioselective reaction; Inert atmosphere;

DOI:10.1002/adsc.201701227

upstream raw materials:

2-bromo-1-(4-(dimethylamino)phenyl)ethanone

4'-dimethylaminoacetophenone

Refernces

• 1、 Olivato, Paulo Roberto,Guerrero, Sandra Alvarez,Rittner, Roberto. "Carbon-13 NMR Spectra of Some 4-Substituted Phenacyl Chlorides and Iodides". . p. 179 - 180. Retrieved 2007/10/02.