383406
5′-溴-2′-羟基苯乙酮
98%
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线性分子式:
BrC6H3(OH)COCH3
化学文摘社编号:
分子量:
215.04
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
98%
Form:
powder
产品名称
5′-溴-2′-羟基苯乙酮, 98%
InChI
1S/C8H7BrO2/c1-5(10)7-4-6(9)2-3-8(7)11/h2-4,11H,1H3
SMILES string
CC(=O)c1cc(Br)ccc1O
InChI key
HQCCNFFIOWYINW-UHFFFAOYSA-N
assay
98%
form
powder
mp
58-61 °C (lit.)
functional group
bromo
ketone
Quality Level
Application
5′-Bromo-2′-hydroxyacetophenone (5-Bromo-2-hydroxyacetophenone) may be used in the following studies:
- As ligand in the preparation of tetrahedral metallocene complexes containing vanadium(IV) (vanadocene), having potential spermicidal activity against human sperm.
- Synthesis of {2′-[1-(5-bromo-2-oxidophenyl) ethylidene] benzohydrazidato (2-)} tris(pyridine) nickel(II)] pyridine solvate.
- Synthesis of N′-[1-(5-bromo-2-hydroxyphenyl)ethylidene]-3,4,5-trihydroxybenzohydrazide dimethyl sulfoxide solvate trihydrate.
- Preparation of 6-bromochromen-4-one.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
存储类别
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
Nura Suleiman Gwaram et al.
Acta crystallographica. Section E, Structure reports online, 66(Pt 3), o721-o721 (2010-01-01)
The benzohydrazide mol-ecule in the title compound, C(15)H(13)BrN(2)O(5)·C(2)H(6)OS·3H(2)O, is almost planar with an r.m.s. deviation for the non-H atoms of 0.078 Å. The organic mol-ecules, water and dimethyl sulfoxide solvent mol-ecules are linked by N-H⋯O, O-H⋯O and O-H⋯S inter-molecular hydrogen bonds
O J D'Cruz et al.
Biology of reproduction, 60(2), 435-444 (1999-01-23)
We have recently reported that tetrahedral metallocene complexes containing vanadium(IV) (vanadocene) have potent spermicidal activity against human sperm. The spermicidal activity was dependent on vanadium(IV) as the central metal ion within the bis-cyclopentadienyl (Cp2)-metal complex, but the variation of diacido
5'-Bromo-2'-hydroxyacetophenone.
Ng SW.
Acta Crystallographica Section E, Structure Reports Online, 63(4), o1805-o1806 (2007)
{2'-[1-(5-Bromo-2-oxidophenyl) ethylidene] benzohydrazidato (2-)} tris (pyridine) nickel (II)] pyridine solvate.
Ali HM, et al.
Acta Crystallographica Section E, Structure Reports Online, 60(11), m1708-m1709 (2004)
Justin J J Leahy et al.
Bioorganic & medicinal chemistry letters, 14(24), 6083-6087 (2004-11-18)
A solution-phase multiple-parallel synthesis approach was employed for the preparation of 6-, 7- and 8-aryl-substituted chromenone libraries, which were screened as inhibitors of the DNA repair enzyme DNA-dependent protein kinase (DNA-PK). These studies resulted in the identification of 8-dibenzothiophen-4-yl-2-morpholin-4-yl-chromen-4-one (NU7441)
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