956-04-7 (4-氯查尔酮,4-chlorochalcone)

4-氯查尔酮(956-04-7)名称与标识符

名称

中文别名:
4-氯查尔酮;:4-氯查耳酮:;4-氯查耳酮;(E)-3-(4-氯苯基)-1-苯基丙-2-烯-1-酮;3-(4-氯苯基)-1-苯基丙-2-烯-1-酮;
英文别名:
4-chlorochalcone;4-chlorobenzalacetophenone;4-CHLOROBENZYLIDENE ACETOPHENONE;4-chloro-chalcon;4-chlorostyrylphenylketone;p-chlorobenzalacetophenone;p-chlorochalcone;(4-Chlorobenzylidene)acetophenone;(E)-3-(4-Chlorophenyl)-1-phenylprop-2-en-1-one;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one (ACI);Chalcone, 4-chloro- (6CI, 7CI, 8CI);1-Phenyl-3-(4-chlorophenyl)-2-propenone;1-Phenyl-3-(4-chlorophenyl)prop-2-en-1-one;2-(4-Chlorobenzylidene)acetophenone;3-(p-Chlorophenyl)-1-phenyl-2-propen-1-one;4-Chlorostyryl phenyl ketone;NSC 2643;NSC 636920;p-Chlorostyryl phenyl ketone;3-(4-Chlorophenyl)-1-phenylprop-2-en-1-one;NS00042011;EINECS 213-476-1;AI3-19969;956-04-7;2-Propen-1-one, 3-(4-chlorophenyl)-1-phenyl-, (2E)-;4-CHLORO CHALCONE;4-Chlorochalcone, 97%;NSC-636920;BRN 1105953;Q27116041;4-Chlorochalcone, trans-;NSC-2643;UNII-FLU6LN357N;2-Propen-1-one, 3-(4-chlorophenyl)-1-phenyl-;CHEBI:34398;NSC636920;CHEMBL227560;(E)-3-(4-chlorophenyl)-1-phenyl-2-propen-1-one;MS-11493;NSC-237974;AKOS001377258;Z46028359;BDBM50440657;(E)-p-Chlorostyryl phenyl ketone;4-Chlorochalcone, (E)-;AKOS025310572;MFCD00016345;(E)-4-Chlorochalcone;(2E)-3-(4-Chlorophenyl)-1-phenyl-2-propenone;2-Propen-1-one, 3-(4-chlorophenyl)-1-phenyl-, (E)-;FLU6LN357N;2-07-00-00427 (Beilstein Handbook Reference);(E)-3-(4-chlorophenyl)-1-phenyl-prop-2-en-1-one;s12306;STK361346;Chalcone, 4-chloro-;(2E)-3-(4-chlorophenyl)-1-phenylprop-2-en-1-one;SCHEMBL197310;NSC237974;CS-0370920;CMLDBU00003474;(2E)-3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one;Chalcone, 4-chloro-, (E)-;trans-4-Chlorochalcone;Chalcone, 4-chloro-(6CI,7CI,8CI);22252-16-0;3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one;

标识符

MDL:
MFCD00016345
InChIKey:
ABGIIXRNMHUKII-UHFFFAOYSA-N
Inchi:
1S/C15H11ClO/c16-14-9-6-12(7-10-14)8-11-15(17)13-4-2-1-3-5-13/h1-11H
SMILES:
O=C(C1C=CC=CC=1)C=CC1C=CC(Cl)=CC=1
BRN:
1105953

4-氯查尔酮(956-04-7)物化性质

实验特性

  • LogP : 4.23610
  • PSA : 17.07000
  • 折射率 : 1.5220 (estimate)
  • 沸点 : 345.7°C (rough estimate)
  • 熔点 : 113-117 °C (lit.)
  • 闪点 : 210.3 °C
  • 颜色与性状 : 未确定
  • 溶解性 : 未确定
  • 密度 : 1.1255 (rough estimate)

计算特性

  • 精确分子量 : 242.05000
  • 氢键供体数量 : 0
  • 氢键受体数量 : 1
  • 可旋转化学键数量 : 3
  • 同位素质量 : 242.049843
  • 重原子数量 : 17
  • 复杂度 : 271
  • 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) : 无
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 17.1

4-氯查尔酮(956-04-7)国际标准相关数据

EINECS:
213-476-1

4-氯查尔酮(956-04-7)海关数据

海关编码:
2914700090
海关数据:

中国海关编码:

2914700090

概述:

2914700090 其他酮及醌的卤化、磺化衍生物(包括硝化和亚硝化衍生物). 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:5.5% 普通关税:30.0%

申报要素:

品名, 成分含量, 用途, 丙酮报明包装

Summary:

HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0%

4-氯查尔酮(956-04-7)推荐厂家 更多厂家(11)

4-氯查尔酮(956-04-7)合成路线

合成路线:1 步
反应条件:
参考文献:
Novel gel-entrapped base catalysts for the Claisen-Schmidt reaction
Chaphekar, Sachin S.; Samant, Shriniwas D., Journal of Chemical Technology and Biotechnology, 2004, 79(7), 769-773
合成路线:1 步
反应条件:
参考文献:
Tuning the Product Selectivity of the α-Alkylation of Ketones with Primary Alcohols using Oxidized Titanium Nitride Photocatalysts and Visible Light
Li, Peifeng; Xiao, Gang ; Zhao, Yilin; Su, Haijia, ACS Catalysis, 2020, 10(6), 3640-3649
合成路线:1 步
反应条件:
参考文献:
Synthesis of pyrazoline derivatives from chalcones and their antibacterial activity
Yazdan, Shaik Khadar; Sowjanya, K. Renuka; Avinash, K. Sai; Kumari, M. Ratna, Journal of Applicable Chemistry (Lumami, 2013, 2(6), 1679-1682
合成路线:1 步
反应条件:
参考文献:
Bronsted Acidic Ionic Liquids Catalysed Sequential Michael-Like Addition of Indole with Chalcones via Claisen-Schmidt Condensation
Das, Sukanya; Porashar, Bikoshita; Saikia, Susmita; Borah, Ruli, ChemistrySelect, 2020, 5(10), 3041-3047
合成路线:1 步
反应条件:
参考文献:
Synthesis of α,α'-bis(substituted benzylidene)cycloalkanones and chalcones catalyzed with p-Toluenesulfonic acid (PTSA) on montmorillonite K10 under solvent-free conditions
Hashemi, Mohammed M.; Khalili, Behzad; Eftekhari-Sis, Bagher, Organic Chemistry: An Indian Journal, 2006, 2(5-6), 150-157
合成路线:1 步
反应条件:
参考文献:
Aldol condensation in water using polyethylene glycol 400
Tanemura, Kiyoshi; Suzuki, Tsuneo; Nishida, Yoko; Horaguchi, Takaaki, Chemistry Letters, 2005, 34(4), 576-577
合成路线:1 步
反应条件:
参考文献:
Synthesis of α,β-unsaturated ketones by grinding method
Wang, Shu-Xiang; Li, Ji-Tai; Wang, Zhen-Hua, Youji Huaxue, 2004, 24(4), 447-449
合成路线:1 步
反应条件:
参考文献:
Barium(II) hydroxide as catalyst in organic reactions. 20. Structure-catalytic activity relationship in the Wittig reaction
Climent, M. S.; Marinas, J. M.; Mouloungui, Z.; Le Bigot, Y.; Delmas, M.; et al, Journal of Organic Chemistry, 1989, 54(15), 3695-701
合成路线:1 步
反应条件:
参考文献:
Synthesis and evaluation of chalcone derivatives and Schiff bases derivatives as antibacterial agents
Elsharif, Nada; Alnaily, Mohamed; Loujanqi, Amnnah, Journal of Modern Chemistry & Chemical Technology, 2018, 9(3), 1-7
合成路线:1 步
反应条件:
参考文献:
Synthesis and antimicrobial activity of some new pyrazoline derivatives bearing sulfanilamido moiety
Almahdi, Maysoon Mohammed ; Saeed, Ahmed Elsadig Mohammed ; Metwally, Nadia Hanafy, European Journal of Chemistry, 2019, 10(1), 30-36
合成路线:1 步
反应条件:
参考文献:
Silica sulfuric acid as an efficient and reusable reagent for crossed-aldol condensation of ketones with aromatic aldehydes under solvent-free conditions
Salehi, Peyman; Dabiri, Minoo; Zolfigol, Mohammad Ali; Fard, Mohammad Ali Bodaghi, Journal of the Brazilian Chemical Society, 2004, 15(5), 773-776
合成路线:1 步
反应条件:
参考文献:
Synthetic applications of organotellurium compounds. 1. A facile synthesis of α,β-unsaturated esters, ketones, and nitriles
Huang, Xian; Xie, Linghong; Wu, Hong, Journal of Organic Chemistry, 1988, 53(20), 4862-4
合成路线:1 步
反应条件:
参考文献:
High efficient Aldol condensation reaction utilizing modified calcium oxide as stable solid base catalyst
Wang, Jin; Yan, Tianlan; Tang, Ying; Miao, Yanqing, Kinetics and Catalysis, 2016, 57(4), 439-445
合成路线:1 步
反应条件:
参考文献:
A facial synthesis and antimicrobial activity of some pyrazole derivatives carrying indole
Sarma, K. Narasimha; Subha, M. C. S.; Rao, K. Chowdoji, E-Journal of Chemistry, 2010, 7(3), 745-750
合成路线:1 步
反应条件:
参考文献:
Catalytic Synthesis of Chalcones and Pyrazolines Using Nanorod Vanadatesulfuric Acid: An Efficient and Reusable Catalyst
Nasr-Esfahani, Masoud; Daghaghale, Mona; Taei, Mahbube, Journal of the Chinese Chemical Society (Weinheim, 2017, 64(1), 17-24
合成路线:1 步
反应条件:
参考文献:
Carbon-based solid acid as an efficient and reusable catalyst for cross-aldol condensation of ketones with aromatic aldehydes under solvent-free conditions
Zali, Abbas; Ghani, Kamal; Shokrolahi, Arash; Keshavarz, Mohammad Hossein, Cuihua Xuebao, 2008, 29(7), 602-606
合成路线:1 步
反应条件:
参考文献:
Rapid synthesis of chalcones without solvent
Wang, Cunde; Guo, Ming-zhu; Zhou, Zhi-feng, Huaxue Shiji, 2004, 26(1),
合成路线:1 步
反应条件:
参考文献:
Study on the coupling reaction of organotins and acid chlorides catalyzed by cellulose oxyphosphine palladium complex
Wu, Chun; Li, Jian; Kong, Qi, Huaxue Tongbao, 2001, (3), 171-174
合成路线:1 步
反应条件:
参考文献:
Concentrated Aqueous Peroxodicarbonate: Efficient Electrosynthesis and Use as Oxidizer in Epoxidations, S-, and N-Oxidations
Seitz, Ann-Katrin; Kohlpaintner, Philipp J.; van Lingen, Tim ; Dyga, Marco ; Sprang, Fiona; et al, Angewandte Chemie, 2022, 61(25),
合成路线:1 步
反应条件:
参考文献:
Discovery of Novel Approach for Regioselective Synthesis of Thioxotriaza-Spiro Derivatives via Oxalic Acid
Gopinatha, Vindya K.; Swarup, Hassan A.; Raghavan, Sathees C.; Mantelingu, Kempegowda; Rangappa, Kanchugarakoppal S., Synlett, 2019, 30(17), 2004-2009

4-氯查尔酮(956-04-7)参考资料

Reaxys RN:
PubChem CID: