Benzalphthalide 3-亚苄基异苯并呋喃-1(3H)-酮

CAS 575-61-1 MFCD00005929

化学结构图

575-61-1
SMILES: O=C1OC(=Cc2ccccc2)c2ccccc21

化学属性

Mol. FormulaC15H10O2
Mol. Weight222.24
Melting Point99-102 °C
Boiling Point323.41 °C at 760 mmHg

别名和识别编码

Chemical Name3-Benzylideneisobenzofuran-1(3H)-One
Synonym Benzalphthalide {LY} Benzalphthalide {} {LY} Benzalphthalide {} {} {LY} Benzalphthalide {} {} {} {LY} Benzalphthalide {} {} {} {} {LY} Benzalphthalide {} {} {} {} {} {LY} Benzalphthalide {} {} {} {} {} {} {LY} Benzalphthalide {} {} {} {} {} {} {} {LY} Benzalphthalide {} {} {} {} {} {} {} {} {LY} Benzalphthalide {} {} {} {} {} {} {} {} {} {LY} Benzalphthalide {} {} {} {} {} {} {} {} {} {} {LY} Benzalphthalide {} {} {} {} {} {} {} {} {} {} {} {LY} Benzalphthalide {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzalphthalide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzalphthalide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzalphthalide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzalphthalide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzalphthalide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzal
MDL NumberMFCD00005929
CAS Number575-61-1
PubChem Substance ID642371
EC Number209-388-8
Chemical Name Translation3-亚苄基异苯并呋喃-1(3H)-酮
Reaxys-RN83797
Beilstein Registry Number17,376
InChIKeyYRTPZXMEBGTPLM-GXDHUFHOSA-N
InChIInChI=1S/C15H10O2/c16-15-13-9-5-4-8-12(13)14(17-15)10-11-6-2-1-3-7-11/h1-10H/b14-10-
Canonical SMILESO=C1O/C(C2=C1C=CC=C2)=C\C3=CC=CC=C3
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分类

  • {uni_hamburg} no charge; oxygen heterocycle; carbocycle; aromatic; large ring; fused rings; 5ring; 6ring; 9ring; ester; lactone; 1fragment
  • {SNA} Building Blocks, Carbonyl Compounds, Chemical Synthesis, Lactones, Organic Building Blocks

相关文献及参考

  • 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: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15
  • Short: III/35E Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Oxygen-17 Author: Duddeck, H.; Toth, G.; Simon, A. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35E Year: 2002 Keyword: Alipathic and Aromatic hydrocarbons; Coupling constant j; Nuclear Magnetic Resonance; chemical shifts δ ISBN: 3-540-42501-2 ISBN: 978-3-540-42501-4 Internet Resource: DOI:10.1007/b92953 RefComment: VII, 230 pages. With CD-ROM., Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), carbon-13 (subvol. D), and oxygen-17 (subvol. E) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CD-ROM's.

安全信息

WGK Germany3
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
RTECSTI3686000
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
TYPE OF TEST            : LD - Lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : >500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CBCCT* "Summary Tables of Biological Tests," National Research Council
   Chemical-Biological Coordination Center.  (National Academy of Science
   Library, 2101 Constitution Ave., NW, Washington, DC 20418)
   Volume(issue)/page/year: 5,143,1953

Storage condition 2-8°C {LY} 2-8°C Store at room temperature {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°

其他信息

  • 方法一:由酞酐与苯乙酸缩合而得。酞酐、苯乙酸和无水乙酸钠一起加热反应，温度逐步升到240℃，在此温度下反应2-3h，将反应物冷至140℃，放入95%乙醇中，回流1h，冷却结晶，过滤，干燥得亚苄基酞。
  • 图谱信息:亚苄基酞(575-61-1)红外图谱(IR2) 亚苄基酞(575-61-1)质谱(MS) 亚苄基酞(575-61-1)红外图谱(IR1)
  • 亚苄基酞价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 B1214 3-亚苄基酞 3-Benzalphthalide 25G 228元 2010/06/21 105231000 亚苄基酞 Benzalphthalide 98% 100 GR 512元 2010/06/21 105235000 亚苄基酞 Benzalphthalide 98% 500 GR 1476元
  • Acros Organics:亚苄基酞 Benzalphthalide, 98%(575-61-1)
  • MOL 文件:575-61-1.mol
  • 上游原料:苯酐 --> 苯乙酸
  • TCI Shanghai:3-亚苄基酞 3-Benzalphthalide,>;99.0%(GC)(575-61-1)
  • Sigma Aldrich:575-61-1(sigmaaldrich)
  • 用途一:医药中间体。

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. Lactones - Carbonyl Compounds

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