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

Base Information

• Chemical Name: 2-Bromo-1-(4-(dimethylamino)phenyl)ethanone
• CAS No.: 37904-72-6
• Molecular Formula: C10H12BrNO
• Molecular Weight: 242.115
• Hs Code.: 2922399090
• European Community (EC) Number: 696-448-5
• DSSTox Substance ID: DTXSID30191334
• Nikkaji Number: J985.102J
• Wikidata: Q72454837
• Mol file: 37904-72-6.mol

Synonyms:37904-72-6;2-Bromo-1-(4-(dimethylamino)phenyl)ethanone;2-Bromo-1-[4-(dimethylamino)phenyl]ethanone;2-bromo-1-(4-dimethylaminophenyl)ethanone;2-bromo-1-(4-dimethylamino-phenyl)-ethanone;4-(Dimethylamino)phenacyl bromide;Ethanone, 2-bromo-1-[4-(dimethylamino)phenyl]-;2-bromo-4'-dimethylaminoacetophenone;2-Bromo-1-[4-(dimethylamino)phenyl]ethan-1-one;p-dimethylaminophenacyl bromide;SCHEMBL774179;p-(dimethylamino)phenacyl bromide;DTXSID30191334;MFCD06409221;2-bromo-4'-dimethylamino-acetophenone;AKOS015836065;AS-17978;CS-0186565;FT-0742029;O10668;2-bromanyl-1-[4-(dimethylamino)phenyl]ethanone;A823929;2-bromo-1-(4-dimethylamino-phenyl)-ethanone, AldrichCPR

Chemical Property of 2-Bromo-1-(4-(dimethylamino)phenyl)ethanone

Chemical Property:

• Vapor Pressure: 0.000169mmHg at 25°C
• Melting Point: 89-92 °C
• Refractive Index: 1.592
• Boiling Point: 330.2 °C at 760 mmHg
• PKA: 1.56±0.12(Predicted)
• Flash Point: 153.5 °C
• PSA: 20.31000
• Density: 1.406 g/cm³
• LogP: 2.33020
• Storage Temp.: Keep Cold
• Solubility.: Chloroform (Sparingly), DMSO (Slightly, Sonicated)
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 241.01023
• Heavy Atom Count: 13
• Complexity: 174

Purity/Quality:

97% ^*data from raw suppliers

2-Bromo-1-(4-dimethylaminophenyl)ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C1=CC=C(C=C1)C(=O)CBr
• Uses: 2-Bromo-1-(4-dimethylaminophenyl)ethanone can be used as potential biomarkers for respiratory illness.

Technology Process of 2-Bromo-1-(4-(dimethylamino)phenyl)ethanone

There total 3 articles about 2-Bromo-1-(4-(dimethylamino)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: 96.0%

2,2-dibromo-1-(4-(dimethylamino)phenyl)ethan-1-one (210832-81-8) → 2-bromo-1-(4-(dimethylamino)phenyl)ethanone (37904-72-6)

Guidance literature:

With Diethyl phosphonate; triethylamine; In tetrahydrofuran; 0 deg C; RT, 6 h;

DOI:10.1016/S0040-4039(98)00975-7

Reference yield: 96.0%

4'-dimethylaminoacetophenone (2124-31-4) → 2-bromo-1-(4-(dimethylamino)phenyl)ethanone (37904-72-6)

Guidance literature:

With bromine; In various solvent(s); at 0 ℃; for 1h;

DOI:10.1002/ejoc.200700426

Reference yield: 17.0%

4'-dimethylaminoacetophenone (2124-31-4) → 2-bromo-1-(4-(dimethylamino)phenyl)ethanone (37904-72-6) + 1-(3-Bromo-4-dimethylamino-phenyl)-ethanone

Guidance literature:

With bromine; In acetic acid; at 0 - 5 ℃; Product distribution; var. solv., temp., and reag.;

DOI:10.1016/S0040-4039(98)00975-7

upstream raw materials:

4'-dimethylaminoacetophenone

2,2-dibromo-1-(4-(dimethylamino)phenyl)ethan-1-one

Downstream raw materials:

4-(6-bromo-imidazo[1,2-a]pyridin-2-yl)-N,N-dimethylbenzenamine

1-(4'-dimethylamino-2-acetophenone)-4,7,10-tris(tert-butoxycarboxymethyl)-1,4,7,10-tetraazacyclododecane

1-(4-dimethylamino-phenyl)-2-{2-[3-(3-piperidin-1-yl-propoxy)-phenyl]-pyrrolidin-1-yl}-ethanone

C₂₁H₂₀N₆S