Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

3'-Bromoacetophenone

Related Products

Hot Products

Name

3'-Bromoacetophenone

EINECS 218-396-0
CAS No. 2142-63-4 Density 1.451 g/cm3
PSA 17.07000 LogP 2.65170
Solubility soluble in acetone and benzene Melting Point 8-11 °C(lit.)
Formula C8H7BrO Boiling Point 255.2 °C at 760 mmHg
Molecular Weight 199.047 Flash Point 90.9 °C
Transport Information N/A Appearance Clear colourless to light yellow liquid
Safety 26-36-24/25 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 2142-63-4 (3'-Bromoacetophenone) Hazard Symbols IrritantXi
Synonyms

3'-Bromo Acetophenone;1-Acetyl-3-bromobenzene;Ethanone, 1- (3-bromophenyl)-;m-Bromoacetophenone;Acetophenone, 3-bromo-;1-(3-bromophenyl)ethanone;Acetophenone, 3-bromo- (8CI);

Article Data 118

3'-Bromoacetophenone Synthetic route

52780-14-0

1-(3-bromophenyl)ethanol

2142-63-4

1-(3-Bromophenyl)ethanone

Conditions
ConditionsYield
With C53H46ClN3P2Ru; potassium tert-butylate; acetone at 56℃; under 750.075 Torr; for 0.166667h; Oppenauer Oxidation;98%
With [(2-(benzoimidazol-2-yl)-6-(3,5-dimethylpyrazol-1-yl)pyridine)RuCl2(PPh3)]; potassium tert-butylate; acetone In methanol at 56℃; under 750.075 Torr; for 0.05h; Catalytic behavior; Oppenauer Oxidation; Inert atmosphere;97%
With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; potassium tert-butylate; copper(I) triflate; 5-[(2S)-pyrrolidine-2-yl]-1H-tetrazole In N,N-dimethyl-formamide at 25℃; for 1h; Catalytic behavior;97%
2039-86-3

3-bromostyrene

2142-63-4

1-(3-Bromophenyl)ethanone

Conditions
ConditionsYield
With iron(II) chloride In ethanol at 80℃; for 6h;95%
With manganese(II) bromide; water; lithium perchlorate; copper dichloride In acetonitrile at 60℃; for 8h; Wacker-Tsuji Olefin Oxidation; Sealed tube; Inert atmosphere; Electrochemical reaction; regioselective reaction;70%
With dihydrogen peroxide In water; acetonitrile at 55℃; for 12h; Wacker Oxidation;66%
Multi-step reaction with 2 steps
1: lithium aluminium tetrahydride; iron(III) chloride; hydrogen / tetrahydrofuran / 24 h / 23 °C
2: NADPH; 9-(2-mesityl)-10-methylacridinium perchlorate; oxygen; ketoreductase-P1-B12 / acetonitrile; water / 24 h / 23 °C / Irradiation; Enzymatic reaction
View Scheme
With oxygen; potassium carbonate; isopropyl alcohol at 150℃; under 3000.3 Torr; for 6h; regioselective reaction;70.5 %Chromat.
766-81-4

3-bromophenylacetylene

2142-63-4

1-(3-Bromophenyl)ethanone

Conditions
ConditionsYield
With chloro(1,3-bis(2,6-di-i-propylphenyl)imidazol-2-ylidene)gold(I) In methanol; water at 110℃; for 6h; Schlenk technique; regioselective reaction;93%
With chloro(1,3-bis(2,6-di-i-propylphenyl)imidazol-2-ylidene)gold(I); water In methanol at 110℃; for 6h;93%
With tropylium tetrafluoroborate; water; acetic acid at 130℃; for 48h; Inert atmosphere;64%
98-86-2

acetophenone

2142-63-4

1-(3-Bromophenyl)ethanone

Conditions
ConditionsYield
With bromine fluoride In ethanol; chloroform at -40℃; for 0.0833333h;92%
Stage #1: acetophenone With potassium bromate In methanol; water
Stage #2: With sodium hydrogensulfite In methanol; water at 45℃; for 5h; Reagent/catalyst;
87.5%
With 1,3-di-n-butyl-1H-imidazol-3-ium tribromide at 20℃; for 0.166667h; Neat (no solvent); regioselective reaction;83%
24280-05-5

N-[1-(3-bromophenyl)ethylidene]hydroxyl amine

2142-63-4

1-(3-Bromophenyl)ethanone

Conditions
ConditionsYield
With formic acid; silica gel for 0.05h; microwave irradiation;92%
With oxygen In acetonitrile at 22 - 35℃; under 760.051 Torr; for 6h; Irradiation;100 %Chromat.
With oxygen In acetonitrile under 760.051 Torr; for 48h; Irradiation;74 %Chromat.
585-76-2

m-bromobenzoic acid

917-54-4

methyllithium

2142-63-4

1-(3-Bromophenyl)ethanone

Conditions
ConditionsYield
Stage #1: methyllithium With copper(l) cyanide In diethyl ether at 0℃; for 0.0833333h; Inert atmosphere;
Stage #2: m-bromobenzoic acid In diethyl ether at 0 - 20℃; for 15h; Inert atmosphere;
92%
89862-26-0

3-bromobenzenesulfonyl hydrazide

75-05-8

acetonitrile

2142-63-4

1-(3-Bromophenyl)ethanone

Conditions
ConditionsYield
With 1,10-Phenanthroline; water; palladium diacetate at 100℃; under 760.051 Torr; for 6h;88%
52780-14-0

1-(3-bromophenyl)ethanol

B

2142-63-4

1-(3-Bromophenyl)ethanone

C

134615-22-8

(S)-1-(3-bromophenyl)ethan-1-ol

Conditions
ConditionsYield
With Arthrobacter atrocyaneus In N,N-dimethyl-formamide at 32℃; for 72h; Microbiological reaction; enantioselective reaction;A n/a
B n/a
C 86%
Stage #1: 1-(3-bromophenyl)ethanol With C32H40MnN2O6(1+)*Cl(1-) In dichloromethane; water for 0.0833333h; Resolution of racemate;
Stage #2: With [bis(acetoxy)iodo]benzene; tetraethylammonium bromide In dichloromethane; water at 0℃; for 0.5h; Overall yield = 40 %; Optical yield = 88 %ee; enantioselective reaction;
74877-08-0

1-(3-bromophenyl)ethanamine

2142-63-4

1-(3-Bromophenyl)ethanone

Conditions
ConditionsYield
With 4-phenylnaphthalene-1,2-dione In acetonitrile at 80℃; for 36h;85%
30951-66-7

2-(3-bromophenyl)-2-propanol

2142-63-4

1-(3-Bromophenyl)ethanone

Conditions
ConditionsYield
With bismuth(lll) trifluoromethanesulfonate; dipotassium peroxodisulfate; silver nitrate In water at 30℃; for 24h; Inert atmosphere; Green chemistry;79%

3'-Bromoacetophenone Specification

The 3'-Bromoacetophenone, with the CAS registry number 2142-63-4, is also known as m-Bromoacetophenone. It belongs to the product categories of Carbonyl Compounds; Halides; Aromatic Acetophenones & Derivatives (substituted); Benzene series; API intermediates; Adehydes, Acetals & Ketones; Bromine Compounds; Acetophenone series; Building Blocks; C7 to C8; Chemical Synthesis; Ketones; Organic Building Blocks. Its EINECS number is 218-396-0. This chemical's molecular formula is C8H7BrO and molecular weight is 199.05. What's more, its systematic name is 1-(3-Bromophenyl)ethanone. This chemical should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxides. It is used as synthetic material of organic chemical.

Physical properties of 3'-Bromoacetophenone are: (1)ACD/LogP: 2.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.47; (4)ACD/LogD (pH 7.4): 2.47; (5)ACD/BCF (pH 5.5): 44.38; (6)ACD/BCF (pH 7.4): 44.38; (7)ACD/KOC (pH 5.5): 525.63; (8)ACD/KOC (pH 7.4): 525.63; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.554; (14)Molar Refractivity: 43.971 cm3; (15)Molar Volume: 137.149 cm3; (16)Polarizability: 17.431×10-24cm3; (17)Surface Tension: 39.1 dyne/cm; (18)Density: 1.451 g/cm3; (19)Flash Point: 90.945 °C; (20)Enthalpy of Vaporization: 49.266 kJ/mol; (21)Boiling Point: 255.203 °C at 760 mmHg; (22)Vapour Pressure: 0.02 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-(3-bromo-phenyl)-ethanol at the ambient temperature. This reaction will need reagent CrO3-"wet-Alumina" and solvent hexane with the reaction time of 24 hours. The yield is about 96%.

3'-Bromoacetophenone can be prepared by 1-(3-bromo-phenyl)-ethanol at the ambient temperature

Uses of 3'-Bromoacetophenone: it can be used to produce 1-(3-bromo-phenyl)-3-pyridin-2-yl-propenone by heating. The reaction time is 25 min. The yield is about 64%.

3'-Bromoacetophenone can be used to produce 1-(3-bromo-phenyl)-3-pyridin-2-yl-propenone by heating

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing and you must avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1cc(Br)ccc1)C
(2)Std. InChI: InChI=1S/C8H7BrO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,1H3
(3)Std. InChIKey: JYAQYXOVOHJRCS-UHFFFAOYSA-N  

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 2142-63-4