2-Bromo-1-(3,4-dimethoxyphenyl)ethanone

Base Information

• Chemical Name: 2-Bromo-1-(3,4-dimethoxyphenyl)ethanone
• CAS No.: 1835-02-5
• Molecular Formula: C10H11BrO3
• Molecular Weight: 259.1
• Hs Code.: 2914700090
• European Community (EC) Number: 673-019-0
• NSC Number: 112833
• DSSTox Substance ID: DTXSID50296951
• Nikkaji Number: J503.058G
• Wikidata: Q72454803
• Mol file: 1835-02-5.mol

Synonyms:2-Bromo-1-(3,4-dimethoxyphenyl)ethanone;1835-02-5;2-Bromo-1-(3,4-dimethoxy-phenyl)-ethanone;1-(3,4-dimethoxyphenyl)-2-bromoethanone;Ethanone, 2-bromo-1-(3,4-dimethoxyphenyl)-;MFCD03425186;3,4-Dimethoxyphenacyl bromide;2-bromo-1-(3,4-dimethoxyphenyl)ethan-1-one;NSC112833;2-Bromo-1-(3,4-dimethoxyphenyl)-Ethanone;1-(3,4-dimethoxyphenyl)-2-bromoethan-1-one;3,4-dimethoxy-phenacylbromide;SCHEMBL426444;DTXSID50296951;NUAIPKMBWNVQIM-UHFFFAOYSA-N;AMY10394;BCP10190;BBL004522;STK735566;AKOS000122942;AC-4561;CS-W001483;NSC-112833;AS-19779;BP-20198;SY019782;BB 0254469;FT-0633871;2-bromo-1-(3,4-dimethoxyphenyl)-1-ethanone;EN300-05000;A18345;SR-01000045618;SR-01000045618-1;W-206313;Z56933742;F3139-2827;2-Bromo-3 inverted exclamation mark ,4 inverted exclamation mark -dimethoxyacetophenone

Chemical Property of 2-Bromo-1-(3,4-dimethoxyphenyl)ethanone

Chemical Property:

• Appearance/Colour: Off-white solid
• Vapor Pressure: 0.000214mmHg at 25°C
• Melting Point: 81-83 °C
• Refractive Index: 1.542
• Boiling Point: 326.5 °C at 760 mmHg
• Flash Point: 151.3 °C
• PSA: 35.53000
• Density: 1.422 g/cm³
• LogP: 2.28140
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility.: Dichloromethane, Ether, Methanol
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 257.98916
• Heavy Atom Count: 14
• Complexity: 196

Purity/Quality:

99% ^*data from raw suppliers

2-Bromo-1-(3,4-dimethoxyphenyl)ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C(=O)CBr)OC

Technology Process of 2-Bromo-1-(3,4-dimethoxyphenyl)ethanone

There total 10 articles about 2-Bromo-1-(3,4-dimethoxyphenyl)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: 97.0%

1-(3,4-dimethoxyphenyl)ethanone (1131-62-0) → 2-Bromo-1-(3,4-dimethoxyphenyl)ethanone (1835-02-5)

Guidance literature:

With bromine; In chloroform; for 3h; Heating;

DOI:10.1002/1099-0690(200207)2002:13<2126::AID-EJOC2126>3.0.CO;2-A

Reference yield: 63.0%

1-(3,4-dimethoxyphenyl)ethanone (1131-62-0) → 2-Bromo-1-(3,4-dimethoxyphenyl)ethanone (1835-02-5) + 2,2-dibromo-1-(3,4-dimethoxyphenyl)ethan-1-one (63987-72-4)

Guidance literature:

With 1-methyl-3-(4-sulfonylbutyl)-1H-imidazol-3-ium trifluoromethanesulfonate; N-Bromosuccinimide; at 55 ℃; for 1h; Green chemistry;

DOI:10.3390/molecules18010074

Reference yield: 20.0%

2-bromoacetyl chloride (22118-09-8) + 1,2-dimethoxybenzene (91-16-7) → 2-Bromo-1-(3,4-dimethoxyphenyl)ethanone (1835-02-5)

Guidance literature:

With aluminium trichloride; In dichloromethane; at 20 ℃; for 12h;

upstream raw materials:

1-(3,4-dimethoxyphenyl)ethanone

2-Benzenesulfinyl-2-bromo-1-(3,4-dimethoxy-phenyl)-ethanol

2-bromoacetyl chloride

1,2-dimethoxybenzene

Downstream raw materials:

1-(3,4-dimethoxy-phenacyl)-1-methyl-hexahydro-azepinium; bromide

2-(4-benzyl-piperazino)-1-(3,4-dimethoxy-phenyl)-ethanone

2-methoxyphenoxy-3',4'-dimethoxyacetophenone

1-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethanone

Refernces

• 1、 Zhang, Qian,Peng, Xinrui,Grilley, Michelle,Takemoto, Jon Y.,Chang, Cheng-Wei Tom. "Using fluorogenic probes for the investigation of selective biomass degradation by fungi". . p. 1918 - 1925. Retrieved 2015.
• 2、 Shen, Yanhong,Li, Baoli,Xu, Hu,Zhang, Guoqiang. "Design, synthesis, and biological evaluation of acetophenone derivatives as dual binding acetylcholinesterase inhibitors". . p. 307 - 310. Retrieved 2013.
• 3、 Fang, Zhen,Flynn, Michael G.,Jackson, James E.,Hegg, Eric L.. "Thio-assisted reductive electrolytic cleavage of lignin β-O-4 models and authentic lignin". . p. 412 - 421. Retrieved 2021/01/28.
• 4、 Georgescu, Emilian,Georgescu, Florentina,Dumitrascu, Florea,Draghici, Constantin,Nicolescu, Alina,Marinescu, Daniela,Deleanu, Calin. "Microwave-assisted multicomponent synthesis of benzo[f]pyrrolo[1,2-a]quinoline derivatives". . p. 97 - 102. Retrieved 2021/02/05.