Benzeneacetyl chloride, 4-(dimethylamino)-alpha-oxo- (9CI)

Base Information

• Chemical Name: Benzeneacetyl chloride, 4-(dimethylamino)-alpha-oxo- (9CI)
• CAS No.: 157119-18-1
• Molecular Formula: C10H10 Cl N O2
• Molecular Weight: 211.648
• Mol file: 157119-18-1.mol

Synonyms:Benzeneacetyl chloride, 4-(dimethylamino)-alpha-oxo- (9CI)

Chemical Property of Benzeneacetyl chloride, 4-(dimethylamino)-alpha-oxo- (9CI)

Chemical Property:

• Boiling Point: 348.8±44.0 °C(Predicted)
• PKA: -1.43±0.12(Predicted)
• PSA: 37.38000
• Density: 1.263±0.06 g/cm3(Predicted)
• LogP: 1.70070

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzeneacetyl chloride, 4-(dimethylamino)-alpha-oxo- (9CI)

There total 4 articles about Benzeneacetyl chloride, 4-(dimethylamino)-alpha-oxo- (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:

2-(4-(dimethylamino)phenyl)-2-oxoacetic acid (63756-72-9) → (4-dimethylamino-phenyl)-oxoacetyl chloride (157119-18-1)

Guidance literature:

With oxalyl dichloride; In 1,4-dioxane; at 20 ℃; for 4h; Inert atmosphere; Schlenk technique;

DOI:10.1002/chem.201800079 DOI:10.1002/chem.201900277

Reference yield:

N,N-dimethyl-aniline (121-69-7,77733-26-7) → (4-dimethylamino-phenyl)-oxoacetyl chloride (157119-18-1)

Guidance literature:

Multi-step reaction with 3 steps

1: dichloromethane / 5 h / 0 - 20 °C

2: sodium hydroxide / 1,4-dioxane / 3 h / 20 °C

3: oxalyl dichloride / 1,4-dioxane / 4 h / 20 °C / Inert atmosphere; Schlenk technique

With oxalyl dichloride; sodium hydroxide; In 1,4-dioxane; dichloromethane; 1: |Friedel-Crafts Alkylation;

DOI:10.1002/chem.201800079

Reference yield:

ethyl 2-(4-(dimethylamino) phenyl)-2-oxoacetate (41116-24-9) → (4-dimethylamino-phenyl)-oxoacetyl chloride (157119-18-1)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydroxide / 1,4-dioxane / 3 h / 20 °C

2: oxalyl dichloride / 1,4-dioxane / 4 h / 20 °C / Inert atmosphere; Schlenk technique

With oxalyl dichloride; sodium hydroxide; In 1,4-dioxane;

DOI:10.1002/chem.201800079

upstream raw materials:

oxalyl dichloride

N,N-dimethyl-aniline

2-(4-(dimethylamino)phenyl)-2-oxoacetic acid

ethyl 2-(4-(dimethylamino) phenyl)-2-oxoacetate

Downstream raw materials:

p-N,N-dimethylaminobenzoic acid

2-(4-(dimethylamino)phenyl)-2-oxoacetic acid

Refernces

• 1、 Merkt, Franziska K.,H?wedes, Simon P.,Gers-Panther, Charlotte F.,Gruber, Irina,Janiak, Christoph,Müller, Thomas J. J.. "Three-Component Activation/Alkynylation/Cyclocondensation (AACC) Synthesis of Enhanced Emission Solvatochromic 3-Ethynylquinoxalines". supporting information. p. 8114 - 8125. Retrieved 2018/04/02.