1-Benzoylpiperidine 1-苯甲酰哌啶

CAS 776-75-0 MFCD00023702

化学结构图

776-75-0
SMILES: O=C(c1ccccc1)N1CCCCC1

化学属性

Mol. FormulaC12H15NO
Mol. Weight189.25
Melting Point49 °C
TSCANo
Boiling Point180-184 °C at 20 mmHg
Flash Point180-184°C/20mm
Appearance 无色三斜晶体。熔点49℃，沸点320-321℃，溶于醇、醚，不溶于水。

别名和识别编码

Chemical Name1-Benzoylpiperidine
Synonym 1-Benzoylpiperidine {LY} 1-Benzoylpiperidine N-benzoylpiperidine {} {LY} 1-Benzoylpiperidine {} {} {LY} 1-Benzoylpiperidine {} {} {} {LY} 1-Benzoylpiperidine {} {} {} {} {LY} 1-Benzoylpiperidine {} {} {} {} {} {LY} 1-Benzoylpiperidine {} {} {} {} {} {} {LY} 1-Benzoylpiperidine {} {} {} {} {} {} {} {} {LY} 1-Benzoylpiperidine {} {} {} {} {} {} {} {} {} {LY} 1-Benzoylpiperidine {} {} {} {} {} {} {} {} {} {} {LY} 1-Benzoylpiperidine {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Benzoylpiperidine {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Benzoylpiperidine {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Benzoylpiperidine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Benzoylpiperidine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Benzoylpiperidine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Benzoylpiperidine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
MDL NumberMFCD00023702
CAS Number776-75-0
EC Number212-280-3
Beilstein Registry Number0136611
Chemical Name Translation1-苯甲酰哌啶
Wiswesser Line NotationT6NTJ AVR
LabNetwork Molecule IDLN00241877
Reaxys-RN136611
PubChem Substance ID69892
Canonical SMILESO=C(N1CCCCC1)C2=CC=CC=C2
InChIInChI=1S/C12H15NO/c14-12(11-7-3-1-4-8-11)13-9-5-2-6-10-13/h1,3-4,7-8H,2,5-6,9-10H2
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分类

  • {uni_hamburg} no charge; nitrogen heterocycle; carbocycle; aromatic; alicycle; 6RingOnly; 6ring; amide; 1fragment

相关文献及参考

  • 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.
  • 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

安全信息

RTECSTM4600000
Safety Statements
  • S22 Do not breathe dust 不要吸入粉尘；
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 570 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   BDCGAS Berichte der Deutschen Chemischen Gesellschaft.  (Leipzig, Ger. Dem.
   Rep.)  V.1-61, 1868-1928. For publisher information, see CHBEAM.
   Volume(issue)/page/year: 34,2408,1901

Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Hazard statements
  • H318 Causes serious eye damage 严重伤害眼睛
Precautionary statements
  • P264+P265
  • 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。
  • P305+P351+P338
  • P305+P354+P338
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P317

其他信息

  • 用途一:用于有机合成。
  • Sigma Aldrich:776-75-0(sigmaaldrich)
  • MOL 文件:776-75-0.mol
  • 上游原料:苯甲酰氯
  • 方法一:由哌啶和苯甲酰氯制得。
  • Alfa Aesar:1-苯酰基哌啶,98% 1-Benzoylpiperidine, 98%(776-75-0)

系列性分类

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