888-12-0 (4-氟-1,3-二氧戊环-2 - 酮,(2E)-1-(2-Hydroxyphenyl)-3-phenyl-2-propen-1-one)

CAS号:
888-12-0
中文名称:
4-氟-1,3-二氧戊环-2 - 酮
英文名称:
(2E)-1-(2-Hydroxyphenyl)-3-phenyl-2-propen-1-one
分子式:
C15H12O2
分子量:
224.254584312439

4-氟-1,3-二氧戊环-2 - 酮(888-12-0)名称与标识符

名称

中文别名:
(2E)-1-(2-羟基苯基)-3-苯基-2-丙烯-1-酮;(E)-2-羟基查耳酮;4-氟-1,3-二氧戊环-2 - 酮;
英文别名:
(2E)-1-(2-Hydroxyphenyl)-3-phenyl-2-propen-1-one;(E)-1-(2-hydroxyphenyl)-3-phenylprop-2-en-1-one;(E)-2'-hydroxychalcone;2-Propen-1-one,1-(2-hydroxyphenyl)-3-phenyl-, (2E)-;2'-hydroxy chalcone;2-Hydroxy-trans-chalcone;trans-2'-Hydroxychalcon;trans-2'-Hydroxycinnamophenone;(2E)-1-(2-Hydroxyphenyl)-3-phenyl-2-propen-1-one (ACI);2-Propen-1-one, 1-(2-hydroxyphenyl)-3-phenyl-, (E)- (ZCI);Chalcone, 2′-hydroxy-, (E)- (8CI);(2E)-1-(2-Hydroxyphenyl)-3-phenylprop-2-en-1-one;(E)-1-(2-Hydroxyphenyl)-3-phenyl-2-propen-1-one;(E)-2′-Hydroxychalcone;(E)-o-Hydroxyphenyl styryl ketone;NSC 170284;trans-2′-Hydroxychalcone;1214-47-7;1-(2-hydroxyphenyl)-3-phenylprop-2-en-1-one;NCGC00017803-02;CS-W013065;SR-01000721424;NSC 18939;SR-01000721424-2;1-(2-Hydroxyphenyl)-3-phenyl-2-propenone;C09321;1-(2-Hydroxyphenyl)-3-phenyl-2-propenone, 98%;Acrylophenone, 2'-hydroxy-3-phenyl-;2-PROPEN-1-ONE, 1-(2-HYDROXYPHENYL)-3-PHENYL-;BRN 0976324;NSC18939;HMS2206A17;2-Benzylidene-2'-hydroxyacetophenone;NCGC00017803-06;BRD-K52053379-001-02-0;W-109608;2'-Hydroxychalcone;AKOS025311108;NS00079541;MLS000438917;LS-14376;NS00021570;DTXSID001313416;1-(2-Hydroxyphenyl)-3-phenyl-2-propen-1-one;BDBM86007;NCGC00161072-02;AETKQQBRKSELEL-ZHACJKMWSA-N;NSC170284;CHALCONE, 2'-HYDROXY-, (E)-;(E)-1-(2-hydroxyphenyl)-3-phenyl-prop-2-en-1-one;CHEMBL32147;3-Phenyl-1-(2-hydroxyphenyl)-2-propen-1-one;NCGC00017803-03;PD001173;UNII-VY06DZ94OC;o-Hydroxychalcone;2-Propen-1-one, 1-(2-hydroxyphenyl)-3-phenyl-, (E)-;NSC-18939;Chalcone, 6;EINECS 214-928-0;InChI=1/C15H12O2/c16-14-9-5-4-8-13(14)15(17)11-10-12-6-2-1-3-7-12/h1-11,16H/b11-10;o-Cinnamoylphenol;H0385;2-Benzal-2'-hydroxyacetophenone;CCG-102277;MFCD00016441;NCGC00161072-01;1-(2-Hydroxy-phenyl)-3-phenyl-propenone;NSC-170284;D78085;CMLDBU00002599;2-propen-1-one, 1-(2-hydroxyphenyl)-3-phenyl-, (2E)-;AS-16009;CHEBI:27916;2-08-00-00220 (Beilstein Handbook Reference);2-Hydroxybenzalacetophenone;EINECS 212-962-0;RVC-556;AE-848/32054053;SMR000112946;Chalcone, 2'-hydroxy-;H-4450;AKOS002346618;Q27103405;888-12-0;trans-2'-Hydroxychalcone;VY06DZ94OC;CCRIS 7796;(E)-2'-hydroxy-chalcones;a (E)-2'-hydroxy-chalcone;HY-W012349;CHEBI:231427;trans-2a(2)-Hydroxychalcone;2 inverted exclamation marka-Hydroxychalcone;STL015897;

标识符

MDL:
MFCD00016441
InChIKey:
AETKQQBRKSELEL-ZHACJKMWSA-N
Inchi:
1S/C15H12O2/c16-14-9-5-4-8-13(14)15(17)11-10-12-6-2-1-3-7-12/h1-11,16H/b11-10+
SMILES:
C(C1C=CC=CC=1O)(=O)/C=C/C1C=CC=CC=1

4-氟-1,3-二氧戊环-2 - 酮(888-12-0)物化性质

实验特性

  • LogP : 3.28830
  • PSA : 37.30000

计算特性

  • 精确分子量 : 224.08400
  • 氢键供体数量 : 1
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 3
  • 同位素质量 : 224.083729621g/mol
  • 重原子数量 : 17
  • 复杂度 : 277
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 1
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 3.9
  • 拓扑分子极性表面积 : 37.3Ų

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4-氟-1,3-二氧戊环-2 - 酮(888-12-0)合成路线

合成路线:1 步
反应条件:
参考文献:
Domino synthesis of novel 3-alkenyl benzofuran derivatives- base mediated condensation cascade reaction
Mundhe, Priyanka; Bhanwala, Neeru; Saini, Surbhi Mahender; Sumanth, Gopavaram; Shivaprasad, Kondreddy; et al, Tetrahedron, 2023, 132,
合成路线:1 步
反应条件:
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I2-Al2O3: a suitable heterogeneous catalyst for the synthesis of flavones under microwave irradiation
Sarda, Swapnil R.; Jadhav, Wamanrao N.; Pawar, Rajendra P., International Journal of ChemTech Research, 2009, 1(3), 539-543
合成路线:1 步
反应条件:
参考文献:
MW assisted synthesis of some pyrazoles containing benzotriazole moiety: an environmentally benign approach
Tiwari, Urvashi; Ameta, Chetna; Rawal, Manish K.; Ameta, Rakshit; Punjabi, Pinki B., Indian Journal of Chemistry, 2013, (3), 432-439
合成路线:1 步
反应条件:
参考文献:
Hydroxychalcones as potential antiangiogenic agents
Karki, Radha; Kang, Youra; Kim, Chul Hoon; Kwak, Kyungsook; Kim, Jung-Ae; et al, Bulletin of the Korean Chemical Society, 2012, 33(9), 2925-2929
合成路线:1 步
反应条件:
参考文献:
Highly Chemoselective Deprotection of the 2,2,2-Trichloroethoxycarbonyl (Troc) Protecting Group
Trost, Barry M. ; Kalnmals, Christopher A. ; Tracy, Jacob S. ; Bai, Wen-Ju, Organic Letters, 2018, 20(24), 8043-8046
合成路线:1 步
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Enantioselective Halo-oxy- and Halo-azacyclizations Induced by Chiral Amidophosphate Catalysts and Halo-Lewis Acids
Lu, Yanhui; Nakatsuji, Hidefumi; Okumura, Yukimasa; Yao, Lu; Ishihara, Kazuaki, Journal of the American Chemical Society, 2018, 140(19), 6039-6043
合成路线:1 步
反应条件:
参考文献:
Enantioselective synthesis of flavan-3-ols using a Mitsunobu cyclization
Krohn, Karsten; Ahmed, Ishtiaq; John, Markus, Synthesis, 2009, (5), 779-786
合成路线:1 步
反应条件:
参考文献:
Efficient liquid-phase synthesis of 2'-hydroxychalcones
Stoyanov, Edmont V.; Champavier, Yves; Simon, Alain; Basly, Jean-Philippe, Bioorganic & Medicinal Chemistry Letters, 2002, 12(19), 2685-2687
合成路线:1 步
反应条件:
参考文献:
QSAR, in silico docking and in vitro evaluation of chalcone derivatives as potential inhibitors for H1N1 virus neuraminidase
Yaeghoobi, Marzieh; Frimayanti, Neni; Chee, Chin Fei; Ikram, Kusaira K.; Najjar, Belal O.; et al, Medicinal Chemistry Research, 2016, 25(10), 2133-2142
合成路线:1 步
反应条件:
参考文献:
Synthesis of Enones and Enals via Dehydrogenation of Saturated Ketones and Aldehydes
Pan, Gao-Fei; Zhu, Xue-Qing; Guo, Rui-Li; Gao, Ya-Ru; Wang, Yong-Qiang, Advanced Synthesis & Catalysis, 2018, 360(24), 4774-4783
合成路线:1 步
反应条件:
参考文献:
Total synthesis and assignment of the absolute stereochemistry of xanthoangelol J: development of a highly efficient method for Claisen-Schmidt condensation
Kakati, Dwipen; Barua, Nabin C., Tetrahedron, 2014, 70(3), 637-642
合成路线:1 步
反应条件:
参考文献:
Microwave assisted solvent free synthesis of 1,3-diphenylpropenone derivatives
Kakati, Dwipen; Sarma, Jadab C., Chemistry Central Journal, 2011, 5,
合成路线:1 步
反应条件:
参考文献:
Ecofriendly synthesis and antimicrobial activity of chalcones
Kamboj, Ramesh C.; Arora, Rita; Sharma, Geeta; Kumar, Dinesh; Sharma, Chetan; et al, Pharma Chemica, 2010, 2(3), 157-170
合成路线:1 步
反应条件:
参考文献:
Stereoselective reduction of flavanones by marine-derived fungi
de Matos, Iara L.; Birolli, Willian G. ; Santos, Darlisson de A.; Nitschke, Marcia; Porto, Andre Luiz M., Molecular Catalysis, 2021, 513,
合成路线:1 步
反应条件:
参考文献:
Graphene-supported ZnO nanoparticles: An efficient heterogeneous catalyst for the Claisen-Schmidt condensation reaction without additional base
Li, Zhuofei; Zhao, Hongyan; Han, Huatao; Liu, Yang; Song, Jinyi; et al, Tetrahedron Letters, 2017, 58(42), 3984-3988
合成路线:1 步
反应条件:
参考文献:
Model studies on construction of the oxabicyclic [3.3.1] core of the mulberry Diels-Alder adducts morusalbanol A and 441772-64-1
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合成路线:1 步
反应条件:
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Δ1-pyrroline based boranyls: Synthesis, crystal structures and luminescent properties
Cardona, Francisco; Rocha, Joao; Silva, Artur M. S. ; Guieu, Samuel, Dyes and Pigments, 2014, 111, 16-20
合成路线:1 步
反应条件:
参考文献:
Dihydroxylated 2,4,6-triphenyl pyridines: Synthesis, topoisomerase I and II inhibitory activity, cytotoxicity, and structure-activity relationship study
Karki, Radha; Thapa, Pritam; Yoo, Han Young; Kadayat, Tara Man; Park, Pil-Hoon; et al, European Journal of Medicinal Chemistry, 2012, 49, 219-228

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