2-Bromo-1-[4-(diethylamino)phenyl]ethanone

Base Information

• Chemical Name: 2-Bromo-1-[4-(diethylamino)phenyl]ethanone
• CAS No.: 207986-25-2
• Molecular Formula: C12H16BrNO
• Molecular Weight: 270.169
• Hs Code.: 2922290090
• European Community (EC) Number: 681-536-8
• DSSTox Substance ID: DTXSID80383525
• Nikkaji Number: J1.618.707K
• Wikidata: Q82175287
• Mol file: 207986-25-2.mol

Synonyms:207986-25-2;ALPHA-BROMO-4-(DIETHYLAMINO)ACETOPHENONE;2-bromo-1-[4-(diethylamino)phenyl]ethanone;2-bromo-1-(4-(diethylamino)phenyl)ethanone;4-(N,N-Diethylamino)phenacyl bromide;2-Bromo-4'-(diethylamino)acetophenone;isothipendylhydrochloride;2-bromo-1-(4-diethylamino-phenyl)-ethanone;2-Bromo-1-[4-(diethylamino)phenyl]ethan-1-one;Ethanone, 2-bromo-1-[4-(diethylamino)phenyl]-;4-diethylaminophenacyl bromide;SCHEMBL483963;4-(diethylamino)phenacyl bromide;DTXSID80383525;N,N-Diethyl-4-(bromoacetyl)aniline;MFCD00151798;AKOS000121319;PS-9884;.alpha.-Bromo-4-diethylaminoacetophenone;2-bromo-1-(4-diethylaminophenyl)ethanone;alpha-bromo-4'-(diethylamino)acetophenone;2-bromo-1-(4-diethylaminophenyl)-ethanone;2-bromo-1-(4-diethylamino phenyl) ethanone;CS-0209280;FT-0622115;A814923;2-Bromo-4'-(diethylamino)acetophenone, AldrichCPR

Chemical Property of 2-Bromo-1-[4-(diethylamino)phenyl]ethanone

Chemical Property:

• Appearance/Colour: yellow powder
• Vapor Pressure: 2.69E-05mmHg at 25°C
• Melting Point: 50-52 °C
• Refractive Index: 1.572
• Boiling Point: 357.7 °C at 760 mmHg
• PKA: 3.13±0.32(Predicted)
• Flash Point: 170.1 °C
• PSA: 20.31000
• Density: 1.316 g/cm³
• LogP: 3.11040
• Water Solubility.: It is insoluble in water.
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 269.04153
• Heavy Atom Count: 15
• Complexity: 196

Purity/Quality:

97% ^*data from raw suppliers

4-(N,N-Diethylamino)phenacyl bromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)C1=CC=C(C=C1)C(=O)CBr
• Uses: 2-Bromo-4'-(diethylamino)acetophenone, is used as a pharmaceutical intermediate. It is also used as a primary and secondary intermediate.

Technology Process of 2-Bromo-1-[4-(diethylamino)phenyl]ethanone

There total 2 articles about 2-Bromo-1-[4-(diethylamino)phenyl]ethanone 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:

4-(N,N-diethylamino)acetophenone (5520-66-1) → 2-bromo-4'-(diethylamino)acetophenone (207986-25-2)

Guidance literature:

With hydrogen bromide; bromine; at 20 ℃;

DOI:10.1021/jo020333+

Reference yield:

p-aminobenzophenone (99-92-3) → 2-bromo-4'-(diethylamino)acetophenone (207986-25-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 43 percent / diisopropylethylamine / dioxane / 96 h / Heating

2: hydrobromic acid; bromine / 20 °C

With hydrogen bromide; bromine; N-ethyl-N,N-diisopropylamine; In 1,4-dioxane;

DOI:10.1021/jo020333+

Reference yield: 96.0%

(R)-((R)-quinuclidin-3-yl) 2-phenyl-2-(phenylamino)-acetate (1233329-45-7) + 2-bromo-4'-(diethylamino)acetophenone (207986-25-2) → (R)-1-(2-(4-(diethylamino)phenyl)-2-oxoethyl)-3-((R)-2-phenyl-2-(phenylamino)acetoxy)-1-azoniabicyclo[2.2.2]octane bromide (1352633-45-4)

Guidance literature:

With I₂; In ethyl acetate;

upstream raw materials:

4-(N,N-diethylamino)acetophenone

p-aminobenzophenone

Downstream raw materials:

4-(diethylaminophenyl)-thiazol-2-ylamine

N-[4'-(diethylamino)phenacyl]phthalimide