1,3-dimethylpiperidin-4-one 1,3-二甲基-4-哌啶酮

CAS 4629-80-5 MFCD00100893

化学结构图

4629-80-5
SMILES: CC1CN(C)CCC1=O

化学属性

Mol. FormulaC7H13NO
Mol. Weight127.18
Density0.950
Refractive index1.4560 to 1.4600
TSCANo
Boiling Point191.8°C at 760 mmHg
Melting Point159-160°C
Flash Point64.5°C

别名和识别编码

Chemical Name1,3-dimethylpiperidin-4-one
Synonym 1,3-Dimethylpiperidin-4-one {LY} 1,3-Dimethylpiperidin-4-one {} {LY} 1,3-Dimethylpiperidin-4-one {} {} {LY} 1,3-Dimethylpiperidin-4-one {} {} {} {LY} 1,3-Dimethylpiperidin-4-one {} {} {} {} {LY} 1,3-Dimethylpiperidin-4-one {} {} {} {} {} {LY} 1,3-Dimethylpiperidin-4-one {} {} {} {} {} {} {LY} 1,3-Dimethylpiperidin-4-one {} {} {} {} {} {} {} {LY} 1,3-Dimethylpiperidin-4-one {} {} {} {} {} {} {} {} {LY} 1,3-Dimethylpiperidin-4-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Dimethylpiperidin-4-one {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Dimethylpiperidin-4-one {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Dimethylpiperidin-4-one {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Dimethylpiperidin-4-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Dimethylpiperidin-4-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Dimethylpiperidin-4-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Dimethylpiperidin
CAS Number4629-80-5
EC Number225-046-0
Alfabeta NameDIMETHYLPIPERIDINONE 134---,
MDL NumberMFCD00100893
Beilstein Registry Number21(5)6,480
Chemical Name Translation1,3-二甲基-4-哌啶酮
Reaxys-RN110056
PubChem Substance ID107311
LabNetwork Molecule IDLN00185805
InChIKeyBGDGMIWDPMJYPP-UHFFFAOYSA-N
InChIInChI=1S/C7H13NO/c1-6-5-8(2)4-3-7(6)9/h6H,3-5H2,1-2H3
Canonical SMILESO=C1C(C)CN(C)CC1
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分类

  • {SNA} Building Blocks, C5 to C7, Chemical Synthesis, Heterocyclic Building Blocks, Piperidines, Piperidones
  • {uni_hamburg} no charge; nitrogen heterocycle; alicycle; 6RingOnly; 6ring; ketone; racemate; 1fragment

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/35D3 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Carbon-13, Part 3: Heterocycles Author: Gupta, R.R.; Jain, M.; Lechner, M.D.; Mikhova, B.M. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35D3 Year: 2007 Keyword: C-13; NMR; carbon-13; chemical shifts; coupling constants; heterocycles; nuclear magnetic resonance ISBN: 978-3-540-29731-4 ISBN: 3-540-29731-6 Internet Resource: DOI: 10.1007/978-3-540-47067-0 RefComment: VIII, 342 p., 1 illus., Hardcover RefComment: Written for Science and engineers in the fields of physics, chemistry and physical chemistry who inted to use NMR to study the structure and the binding of molecules Abstract: Nuclear Magnetic Resonance (NMR) is based on the fact that certain nuclei exhibit a magnetic moment, orient by a magnetic field, and absorb characteristic frequencies in the radiofrequency part of the spectrum. NMR is now a leading technique and a powerful tool for the investigation of the structure and interaction of molecules. The present Landolt-Börnstein volume III/35 Nuclear Magnetic Resonance (NMR) Data is therefore of major interest to all scientists and engineers who use NMR to study the structure and the binding of molecules. Volume III/35 "NMR-Data" is divided into several subvolumes and parts. Subvolume III/35A contains the nuclei B-11 and P-31, subvolume III/35B contains the nuclei F-19 and N-15, subvolume III/35C contains the nucleus H-1, subvolume III/35D contains the nucleus C-13, subvolume III/35E contains the nucleus O-17, and subvolume III/35G contains the nucleus Se-77. More nuclei are planned for future volumes.

安全信息

Warnings IRRITANT
Risk Statements
  • R37/38 Irritating to respiratory system and skin 对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
  • R41 Risk of serious damage to eyes 有严重损伤眼睛的危险
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Safety Statements
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
  • 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；
  • S37 Wear suitable gloves 戴适当手套；
  • S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾；
  • S39 Wear eye/face protection 戴眼睛/面孔保护装置；
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
GHS Symbol
Signal word Danger
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。
  • 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。
  • 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。
  • P302+P350
  • P302+P352
  • P304+P340
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • 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。
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P332+P313
  • P337+P313
  • 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
  • P370+P378
  • P403+P233
  • 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
  • H315 Causes skin irritation 会刺激皮肤
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • H318 Causes serious eye damage 严重伤害眼睛
  • 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
WGK Germany3
Hazard Codes Xi
Storage condition 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°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

其他信息

  • 用途一:安那度尔的中间体。
  • 1,3-二甲基-4-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 D3909 1,3-二甲基-4-哌啶酮 1,3-Dimethyl-4-piperidone 5G 437元 2014/06/02 D3909 1,3-二甲基-4-哌啶酮 1,3-Dimethyl-4-piperidone 25G 1390元
  • 方法一:用β-甲氨基异丁酸甲酯与丙烯酸甲酯加成，得N-（2-甲氧羰基乙基）-N-（2-甲氧羰基异丙基）甲胺，后者在金属钠参与下环合，然后以盐酸水解，再消除得到本品。
  • 上游原料:丙烯酸甲酯 --> 异丁酸甲酯
  • MOL 文件:4629-80-5.mol

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. Piperidines 哌啶
  5. C5 to C7 - Piperidines

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