N-Benzyl-4-piperidone 1-苄基-4-哌啶酮

CAS 3612-20-2 MFCD00006192

化学结构图

3612-20-2
SMILES: O=C1CCN(Cc2ccccc2)CC1

化学属性

Mol. FormulaC12H15NO
Mol. Weight189.26
Density1.021
Refractive index1.5390 to 1.5420
Boiling Point278.5°C at 760 mmHg
Flash Point71°C
TSCANo
Solubility12 G/L (20 ºC)

别名和识别编码

Chemical NameN-Benzyl-4-piperidone
CAS Number3612-20-2
Alfabeta NameBENZYLPIPERIDINONE 14---
MDL NumberMFCD00006192
Synonym 1-Benzyl-4-piperidone {LY} 1-Benzyl-4-piperidone 1-benzyl-4-piperidone {} {LY} 1-Benzyl-4-piperidone {} {} {LY} 1-Benzyl-4-piperidone {} {} {} {LY} 1-Benzyl-4-piperidone {} {} {} {} {LY} 1-Benzyl-4-piperidone {} {} {} {} {} {LY} 1-Benzyl-4-piperidone {} {} {} {} {} {} {LY} 1-Benzyl-4-piperidone {} {} {} {} {} {} {} {LY} 1-Benzyl-4-piperidone {} {} {} {} {} {} {} {} {LY} 1-Benzyl-4-piperidone {} {} {} {} {} {} {} {} {} {LY} 1-Benzyl-4-piperidone {} {} {} {} {} {} {} {} {} {} {LY} 1-Benzyl-4-piperidone {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Benzyl-4-piperidone {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Benzyl-4-piperidone {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Benzyl-4-piperidone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Benzyl-4-piperidone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Benzyl-4-piperidone {} {} {} {} {} {} {} {} {} {} {} {} {}
EC Number222-782-4
Beilstein Registry Number128556
PubChem Substance ID19220
Reaxys-RN128556
Chemical Name Translation1-苄基-4-哌啶酮
LabNetwork Molecule IDLN00171496
InChIInChI=1S/C12H15NO/c14-12-6-8-13(9-7-12)10-11-4-2-1-3-5-11/h1-5H,6-10H2
Canonical SMILESC2=C(CN1CCC(=O)CC1)C=CC=C2
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分类

  • {uni_hamburg} no charge; nitrogen heterocycle; carbocycle; aromatic; alicycle; 6RingOnly; 6ring; ketone; 1fragment
  • Isotope Labelled Compounds
  • {SNA} Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks, Piperidones
  • Aromatics
  • Heterocycles

产品应用

  • A substituted piperidine as pesticide

相关文献及参考

  • Liras, S., et al.: Bioorg. Med. Chem. Lett., 20, 503 (2010),
  • Short: EINECS
  • Short: III/35E
  • Beilstein:21(5)6,424
  • Nishizawa, R., et al.: Bioorg. Med. Chem. Lett., 20, 763 (2010),

安全信息

Warnings IRRITANT
Signal word Warning
GHS Symbol
WGK Germany3
Safety Statements
  • S24 Avoid contact with skin 避免皮肤接触；
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
  • 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；
Risk Statements
  • 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
  • R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
Precautionary statements
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P264+P265
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • P272 Contaminated work clothing should not be allowed out of the workplace. 污染的工作服不得带出工作场所。
  • 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。
  • P301+P312
  • P301+P312+P330
  • P301+P317
  • P302+P352
  • P302+P352+P333+P313+P362+P364
  • P304+P340
  • P305+P351+P338
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P332+P317
  • P333+P313
  • P333+P317
  • P337+P313
  • P337+P317
  • 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
  • P362+P364
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P370+P378
  • P403+P233
  • P403+P235
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H227 Combustible liquid 可燃液体
  • H302 Harmful if swallowed 吞食有害
  • H315 Causes skin irritation 会刺激皮肤
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Personal Protective Equipment Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes Xn Xi Xi,Xn
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

  • Acros Organics:1-苄基-4-哌啶酮 N-Benzyl-4-piperidone, 99%(3612-20-2)
  • 图谱信息:N-苄基哌啶酮(3612-20-2)红外图谱(IR1) N-苄基哌啶酮(3612-20-2)核磁图( 13 CNMR) N-苄基哌啶酮(3612-20-2)质谱(MS) N-苄基哌啶酮(3612-20-2)核磁图( 1 HNMR)
  • MSDS 信息:1-(Phenylmethyl)-4-piperidinone(3612-20-2).msds
  • TCI Shanghai:1-苄基-4-哌啶酮 1-Benzyl-4-piperidone,>;98.0%(GC)(T)(3612-20-2)
  • 用途一:医药中间体
  • 下游产品:4,5,6,7-四氢-2-甲基呋喃[3,2-C]并吡啶 --> 4-吡咯烷-1-基-哌啶 --> 4-(3-三氟甲基)苯基-4-哌啶醇 --> 1-Boc-2-哌啶酮
  • 用途二:用于五氟利多原料药的合成
  • N-苄基哌啶酮价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 B1027 1-苄基-4-哌啶酮 1-Benzyl-4-piperidone 25ML 298元 2014/06/02 B1027 1-苄基-4-哌啶酮 1-Benzyl-4-piperidone 500ML 2690元 2010/06/21 BTB14038EA N-苄基哌啶酮 1-benzylpiperidin-4-one 10 GR 480元
  • Alfa Aesar:1-苄基-4-哌啶酮,98+% 1-Benzyl-4-piperidone, 98+%(3612-20-2)
  • Hazard Note:Irritant
  • 海关编码:29333999
  • 方法一:苄胺经加成、环合成盐、水解消除等步骤而得。1.加成 苄胺与丙烯酸甲酯反应制备N,N-双（β-丙酸甲酯）苄胺。2.环合、成盐制备1-苄基-3-甲酸甲酯哌啶酮[4]盐酸盐。3.水解、消除制得1-苄基哌啶酮[4]。
  • Sigma Aldrich:3612-20-2(sigmaaldrich)
  • MOL 文件:3612-20-2.mol
  • 上游原料:苄胺 --> 丙酸甲酯 --> 4,4-哌啶二醇盐酸盐

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Homopiperidines 同哌啶
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Piperidines 哌啶
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Piperidones 哌啶酮
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Piperidones 哌啶酮

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