3'-Bromoacetophenone

Base Information

• Chemical Name: 3'-Bromoacetophenone
• CAS No.: 2142-63-4
• Molecular Formula: C8H7BrO
• Molecular Weight: 199.047
• Hs Code.: 29147090
• European Community (EC) Number: 218-396-0
• NSC Number: 46620
• DSSTox Substance ID: DTXSID40870941
• Nikkaji Number: J47.600E
• Wikidata: Q63409213
• Mol file: 2142-63-4.mol

Synonyms:3'-Bromoacetophenone;2142-63-4;1-(3-Bromophenyl)ethanone;m-Bromoacetophenone;Ethanone, 1-(3-bromophenyl)-;1-(3-bromophenyl)ethan-1-one;1-Acetyl-3-bromobenzene;3-BROMOACETOPHENONE;Acetophenone, 3'-bromo-;3-bromo acetophenone;1-(3-Bromo-phenyl)-ethanone;MFCD00000083;NSC 46620;bromoacetophenone-3;NSC46620;3`-Bromoacetophenone;3'-bromo acetophenone;3/'-Bromoacetophenone;(3-bromophenyl)ethanone;SCHEMBL3169;1-(3-bromophenyl)-ethanone;(3-bromophenyl)methyl ketone;3'-BROMOACETOPHENONE,;1-(3-Bromophenyl)ethanone #;DTXSID40870941;STR01011;EINECS 218-396-0;NSC-46620;STL264115;AKOS000119026;CS-W009131;PS-4704;AM803513;SY001472;3'-Bromoacetophenone, ReagentPlus(R), 99%;B0536;FT-0615187;3 inverted exclamation mark -Bromoacetophenone;EN300-19147;D70815;A815335;W-107557;3'-Bromoacetophenone, Vetec(TM) reagent grade, 98%;Q63409213;F0001-0765;Z104472956

Chemical Property of 3'-Bromoacetophenone

Chemical Property:

• Appearance/Colour: Clear colourless to light yellow liquid
• Melting Point: 8-11 °C(lit.)
• Refractive Index: n20/D 1.576(lit.)
• Boiling Point: 255.2 °C at 760 mmHg
• Flash Point: 90.9 °C
• PSA: 17.07000
• Density: 1.451 g/cm³
• LogP: 2.65170
• Storage Temp.: Store below +30°C.
• Water Solubility.: Practically insoluble in water
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 197.96803
• Heavy Atom Count: 10
• Complexity: 133

Purity/Quality:

99% ^*data from raw suppliers

3''-Bromoacetophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-36/38
• Safety Statements: 26-36-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC(=CC=C1)Br
• Uses: 3''-Bromoacetophenone is a chemical reagent used in the synthesis of chalcone derivatives as anti-cancer agents. Also used in the preparation of biphenyl pyridazinone deriatives as PDE4 inhibitors in anti-inflammatory treatments.

Technology Process of 3'-Bromoacetophenone

There total 50 articles about 3'-Bromoacetophenone 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: 98.0%

1-(3-bromophenyl)ethanol (52780-14-0) → 1-(3-Bromophenyl)ethanone (2142-63-4)

Guidance literature:

With C₅₃H₄₆ClN₃P₂Ru; potassium tert-butylate; acetone; at 56 ℃; for 0.166667h; under 750.075 Torr;

DOI:10.1002/chem.201201938

Reference yield: 92.0%

m-bromobenzoic acid (585-76-2) + methyllithium (917-54-4) → 1-(3-Bromophenyl)ethanone (2142-63-4)

Guidance literature:

methyllithium; With copper(l) cyanide; In diethyl ether; at 0 ℃; for 0.0833333h; Inert atmosphere;

m-bromobenzoic acid; In diethyl ether; at 0 - 20 ℃; for 15h; Inert atmosphere;

DOI:10.1021/ol202237j

Reference yield: 92.0%

N-[1-(3-bromophenyl)ethylidene]hydroxyl amine (24280-05-5) → 1-(3-Bromophenyl)ethanone (2142-63-4)

Guidance literature:

With formic acid; silica gel; for 0.05h; microwave irradiation;

DOI:10.1081/SCC-120003142

upstream raw materials:

1-(3-bromophenyl)ethanol

1-(4-amino-3-bromophenyl)-ethanone

1-(3-aminophenyl)ethanone

acetophenone

Downstream raw materials:

(E)-1-(3-bromophenyl)-3-phenylprop-2-en-1-one

2-(3-bromophenyl)-2-methyl-[1,3]dioxolane

2-[1-(3-Bromo-phenyl)-eth-(E)-ylideneamino]-2-methyl-propan-1-ol

1,3-Bis-<3-oxo-3-(3-brom-phenyl)-prop-1-enyl>benzol

Refernces

• 1、 Han, Zhangang,Hao, Zhiqiang,Li, Ying,Lin, Jin,Lu, Guo-Liang,Ma, Zhihong. "Trinuclear ruthenium carbonyl complexes with salicylaldimine ligands as efficient catalysts for the oxidation of secondary alcohols". . . Retrieved 2021.
• 2、 Zong, Siqi,Liu, Kang,Yue, Xiaohui,Hao, Zhiqiang,Ma, Zhihong,Han, Zhangang,Lu, Guo-Liang,Lin, Jin. "Ruthenium carbonyl complexes supported by pyridine-alkoxide ligands: Synthesis, structure and catalytic oxidation of secondary alcohols". . p. 13947 - 13953. Retrieved 2019.
• 3、 Geng, Haoxing,Liu, Xin,Zhu, Qing. "Visible light-mediated, high-efficiency oxidation of benzyl to acetophenone catalyzed by fluorescein". supporting information. . Retrieved 2021/12/20.