trans-Chalcone 反-查耳酮

CAS 614-47-1 MFCD00003082

化学结构图

614-47-1
SMILES: O=C(/C=C/c1ccccc1)c1ccccc1

化学属性

Mol. FormulaC15H12O
Mol. Weight208
Boiling Point208
Melting Point55-57
TSCANo
Flash Point>110 ºC
Appearance 淡黄色斜方或棱形结晶。熔点57-58℃，沸点345-348℃（微分解），相对密度1.0712（62/4℃），折光率（nD62）1.6458，易溶于醚、氯仿、二硫化碳和苯，微溶于醇，难溶于冷石油醚。

别名和识别编码

Chemical Nametrans-Chalcone
Synonym 苯丙烯酰苯 苯乙烯基苯基酮 2-Propen (E)-1-Benzoyl-2-phenylethylene {Chemi 反式-查耳酮; 亚苄基代苯乙酮; 查耳酮; 1,3-二苯基-2-丙烯-1-酮 苯亚甲基苯乙酮 {Chemical (e)-benzylideneacetophenone trans-1,3-Diphenylprop-1-en-3-one CHALKONE 查尔酮 {Chemica 亞苄苯乙酮 trans-1,3-Diphenyl-2-propen-1-one Phenyl (E)-2-phenylethenyl ketone (E)-1,3-Diphenyl-2-propen-1-one 反-查耳酮,苯乙烯基苯基酮 (2E)-1,3-DIPHENYLPROP-2-EN-1-ONE 查耳酮 2-BENZYLIDENEACETOPHENONE 亞苄乙醯苯 (2E)-1,3-Diphenyl-2-propen-1-one Chalcone, (E)- 苯基苯乙烯基甲酮 trans-Benzalacetophenone {J
CAS Number614-47-1
PubChem Substance ID637760
EC Number210-383-8
Beilstein Registry Number509985
MDL NumberMFCD00003082
Merck Number2037
Chemical Name Translation反-查耳酮
Reaxys-RN742765
InChIKeyDQFBYFPFKXHELB-VAWYXSNFSA-N
LabNetwork Molecule IDLN00198742
InChIInChI=1S/C15H12O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12H/b12-11+
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分类

  • {SA} Bioactive Small Molecules, Building Blocks, C15 to C38, Carbonyl Compounds, Cell Biology, Chemical Synthesis, DIG-DY, Ketones, Organic Building Blocks
  • {SNA} Bioactive Small Molecules, Building Blocks, C-CH,
  • Bioactive Small Molecules, Building Blocks, C-CH, C15 to C38, Carbonyl Compounds, Cell Biology, Chemical Synthesis, Ketones, Organic Building Blocks
  • {SNA} Bioactive Small Molecules,
  • {SNA} Building Blocks, C15 to C38, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks

相关文献及参考

  • [2]. Mahmoud Najafian, et al. Trans-chalcone: a novel small molecule inhibitor of mammalian alpha-amylase. Mol Biol Rep. 2011 Mar;38(3):1617-20.
  • [3]. Tamires Aparecida Bitencourt, et al. Trans-chalcone and quercetin down-regulate fatty acid synthase gene expression and reduce ergosterol content in the human pathogenic dermatophyte Trichophyton rubrum. BMC Complement Altern Med. 2013 Sep 17;13:229.
  • 1. Wattenberg L.W., et al. Cancer Lett. 15 , 165, (1994)
  • Beil. 7 ,478
  • FT-IR 1 (2), 51:D / FT-IR 2 (2), 2441:D / FT-NMR 1 (2), 875:C / IR-Spectra (3), 880:C / IR-Spectra (2), 770:C / NMR-Reference 2 (2), 54:B / RegBook 1 (2), 1661:A / Sax 6 , 663 / Structure Index 1 , 262:D:2 / Vapor Phase 3 , 1264:B
  • Merck 14 ,2037
  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H302 Harmful if swallowed 吞食有害
  • H319 Causes serious eye irritation 严重刺激眼睛
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xn Xn,Xi
RTECSUD5576750
Precautionary statements
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P332+P313
  • P305+P351+P338+P337+P313
Signal word
Safety Statements
  • S22 Do not breathe dust 不要吸入粉尘；
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
Risk Statements
  • R36/37 Irritating to eyes and respiratory system 对眼睛和呼吸系统有刺激性
  • R22 Harmful if swallowed 吞咽有害
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性

其他信息

  • Sigma Aldrich:94-41-7(sigmaaldrich)
  • MSDS 信息:1,3-Diphenyl-2-propen-1-one(614-47-1).msds
  • 储运特性:库房低温通风干燥; 防明火, 高温, 与氧化剂分开存放
  • 毒性分级:中毒
  • Alfa Aesar:反-查耳酮,苯乙烯基苯基酮,97% trans-Chalcone, 97%(614-47-1)
  • 可燃性危险特性:遇明火, 热, 氧化剂易燃; 热分解辛辣刺激烟雾
  • 图谱信息:查耳酮(614-47-1)红外图谱(IR2) 查耳酮(614-47-1)Raman光谱 查耳酮(614-47-1)核磁图( 1 HNMR) 查耳酮(614-47-1)核磁图( 13 CNMR) 查耳酮(614-47-1)质谱(MS) 查耳酮(614-47-1)红外图谱(IR1)
  • MOL 文件:94-41-7.mol
  • 类别:易燃液体
  • 苯亚甲基苯乙酮价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 C0071 查耳酮 Chalcone 500G 3890元 2014/06/02 C0071 查耳酮 Chalcone 25G 300元 2010/06/21 159431000 苯亚甲基苯乙酮 Chalcone 97% 100 GR 439元
  • 下游产品:3,5-二苯基吡唑 --> α-萘黄酮 --> 苯亚甲基苯乙酮
  • 上游原料:丙酮 --> 查耳酮
  • TCI Shanghai:1,3-二苯基-2-丙烯-1-酮 Chalcone,>;95.0%(GC)(94-41-7)
  • Sigma Aldrich:614-47-1(sigmaaldrich)
  • 查耳酮价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/05/25 A14734 反-查耳酮,苯乙烯基苯基酮, 97% trans-Chalcone, 97% 500g 1498元 2010/05/25 A14734 反-查耳酮,苯乙烯基苯基酮, 97% trans-Chalcone, 97% 100g 364元
  • 急性毒性:口服-大鼠 LD: >; 500 毫克/公斤' 腹腔-小鼠 LD50: 200 毫克/公斤
  • Acros Organics:1，3-二苯基-2-丙烯-1-酮 Chalcone, 97%(94-41-7)
  • 方法一:将氢氧化钠溶液和乙醇的混合物冷却、激烈搅拌，加入新蒸的苯乙酮和苯甲醛，在15-30℃搅拌2-3h，反应物逐渐稠化，置冷冻过液，析出黄色沉淀，过滤，洗涤至中性，用乙醇重结晶，得查耳酮，产率84%。
  • MOL 文件:614-47-1.mol
  • Trans-Chalcone is an open chain flavonoid that inhibits lung and forestomach carcinogenesis.
  • 用途一:用于有机合成,如甜味剂。
  • 灭火剂:二氧化碳, 泡沫, 干粉

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Ketones - Carbonyl Compounds
  6. C15 to C38 - Ketones
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Aromatic Ketones
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Ketones 酮
  6. C13 to C14
  1. Life Science 生命科学
  2. Biochemistry / Glyco-Chemistry
  3. Flavonoids
  1. Medical Research Areas
  2. Metabolism
  3. Fatty Acid Synthase (FASN)  (脂肪酸合成酶)

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