| Identification | More | [Name]
3'-METHOXYPHENACYL BROMIDE | [CAS]
5000-65-7 | [Synonyms]
2-BROMO-1-(3-METHOXYPHENYL)ETHANONE
2-BROMO-3'-METHOXYACETOPHENONE
3-(BROMOACETYL)ANISOLE
3'-METHOXYPHENACYL BROMIDE
3-METHOXYPHENACYL BROMIDE
A-BROMO-M-METHOXYACETOPHENONE
AKOS BBS-00003869
ALPHA-BROMO-3'-METHOXYACETOPHENONE
ALPHA-BROMO-M-METHOXYACETOPHENONE
M-METHOXYPHENACYL BROMIDE
Ethanone, 2-bromo-1-(3-methoxyphenyl)-
bromomethyl 3-methoxyphenyl ketone
2-BROMO-3''-METHOXYACETOPHENONE 97%
3'-Methoxyphenacyl Bromide [for HPLC Labeling]
1-(Bromoacetyl)-3-methoxybenzene
α-Bromo-3'-methoxyacetophenone
α-Bromo-m-methoxyacetophenone | [EINECS(EC#)]
225-666-1 | [Molecular Formula]
C9H9BrO2 | [MDL Number]
MFCD00000199 | [Molecular Weight]
229.07 | [MOL File]
5000-65-7.mol |
| Chemical Properties | Back Directory | [Appearance]
WHITE TO SLIGHTLY YELLOW-GREEN CRYST. POWDER | [Melting point ]
60-62 °C(lit.) | [Boiling point ]
215.8°C (rough estimate) | [density ]
1.4921 (rough estimate) | [refractive index ]
1.5500 (estimate) | [storage temp. ]
0-6°C | [solubility ]
soluble in Methanol | [form ]
Crystalline Powder | [color ]
White to slightly yellow-green | [BRN ]
510128 | [InChI]
InChI=1S/C9H9BrO2/c1-12-8-4-2-3-7(5-8)9(11)6-10/h2-5H,6H2,1H3 | [InChIKey]
IOOHBIFQNQQUFI-UHFFFAOYSA-N | [SMILES]
C(=O)(C1=CC=CC(OC)=C1)CBr | [CAS DataBase Reference]
5000-65-7(CAS DataBase Reference) | [NIST Chemistry Reference]
2-Bromo-3'-methoxyacetophenone(5000-65-7) |
| Safety Data | Back Directory | [Hazard Codes ]
C | [Risk Statements ]
R34:Causes burns.
R36/37:Irritating to eyes and respiratory system .
R22:Harmful if swallowed. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S27:Take off immediately all contaminated clothing .
S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) . | [RIDADR ]
UN 3261 8/PG 2
| [WGK Germany ]
3
| [HazardClass ]
8 | [PackingGroup ]
III | [HS Code ]
29147000 | [Storage Class]
8A - Combustible corrosive hazardous materials | [Hazard Classifications]
Eye Dam. 1
Skin Corr. 1B
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
WHITE TO SLIGHTLY YELLOW-GREEN CRYST. POWDER | [Uses]
2-bromo-3′-methoxyacetophenone, an alkylating agent, has been used to stabilize clopidogrel active metabolite (AM) in human plasma. It has also been used in the derivatisation of active metabolites in blood to ensure its stability during sample processing and storage. | [Uses]
Derivatizing reagent. | [Preparation]
Obtained by reaction of bromine with 3-methoxyacetophenone in chloroform at 0° for 3 h (88%). | [Synthesis]
General procedure for the synthesis of 2-bromo-3'-methoxyacetophenone from 3-methoxyacetophenone: To a stirred yellow solution of clarified 1-(3-methoxyphenyl)acetophenone (20 mL, 139 mmol) in tetrahydrofuran (250 mL) was added in batches of tribromobenzyltrimethylammonium (54.7 g, 145 mmol) and stirring was continued for 1 h at room temperature. After completion of the reaction, the ammonium salt was removed by filtration and the filter cake was washed with ether. Subsequently, the filtrate was concentrated under reduced pressure to give the oily product 2-bromo-1-(3-methoxyphenyl)ethanone (32.6 g, 142 mmol) which could be used without further purification in quantitative yield. | [References]
[1] Patent: WO2015/16729, 2015, A1. Location in patent: Page/Page column 30
[2] Journal of Medicinal Chemistry, 2017, vol. 60, # 22, p. 9239 - 9250
[3] Bioorganic and Medicinal Chemistry, 2010, vol. 18, # 15, p. 5715 - 5723
[4] Journal of the Chemical Society of Pakistan, 2016, vol. 38, # 5, p. 859 - 863
[5] Journal of the American Chemical Society, 1984, vol. 106, # 11, p. 3354 - 3356 |
|
| Company Name: |
J & K SCIENTIFIC LTD.
|
| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Alfa Aesar
|
| Telephone: |
400-6106006 |
| Website: |
http://chemicals.thermofisher.cn |
| Company Name: |
Energy Chemical
|
| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
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