N-甲酸基-2-甲氧基哌啶 | 61020-07-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: N-甲酸基-2-甲氧基哌啶
• 中文别名: 2-甲氧基-1-甲酰基哌啶
• 英文名称: 1-formyl-2-methoxy-piperidine
• 英文别名: 2-methoxy-1-piperidinecarboxaldehyde；2-methoxypiperidine-1-carbaldehyde；2-methoxy-piperidinecarboxaldehyde；1-formyl-2-methoxypiperidine；1-Formyl-2-methoxypiperidin；N-Formyl-2-methoxypiperidin；2-Methoxy-1-formylpiperidine
• CAS: 61020-07-3
• 化学式: C₇H₁₃NO₂
• mdl: MFCD00010857
• 分子量: 143.186
• InChiKey: GMXVFNHJKDDELJ-UHFFFAOYSA-N

物化性质

• 沸点：
  261.28°C (rough estimate)
• 密度：
  1.0500
• 稳定性/保质期：
  避免接触氧化物

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.857
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 安全说明：
  S24/25
• 海关编码：
  2933399090

SDS

Name:	N-Formyl-2-methoxy-piperidine 97% Material Safety Data Sheet
Synonym:	2-Methoxypiperidine-1-carboxaldehyde; 2-Methyoxy-1-piperidinecarboxaldehyde
CAS:	61020-07-3

Section 1 - Chemical Product MSDS Name:N-Formyl-2-methoxy-piperidine 97% Material Safety Data Sheet
Synonym:2-Methoxypiperidine-1-carboxaldehyde; 2-Methyoxy-1-piperidinecarboxaldehyde

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
61020-07-3	N-Formyl-2-methoxy-piperidine	97	unlisted

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:

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Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 61020-07-3: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Liquid
Color: colorless
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 50 deg C @ .13mm Hg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: 1.0560g/cm3
Molecular Formula: C7H13NO2
Molecular Weight: 143.19

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, strong oxidants.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong bases.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, carbon dioxide.
Hazardous Polymerization: Has not been reported.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 61020-07-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
N-Formyl-2-methoxy-piperidine - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 61020-07-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 61020-07-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 61020-07-3 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  N-甲酸基-2-甲氧基哌啶 在 三乙基硅烷 、 甲烷磺酸 、 溴 、 potassium acetate 、 氯化铵 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 生成 (3-Acetyloxy-1-formylpiperidin-4-yl) acetate
  参考文献：
  名称：

  Stereoselective synthesis of azasugars by electrochemical oxidation

  摘要：

  A new method using electrochemical oxidation has been exploited for the stereoselective synthesis of 2,3,6-trihydroxylated 5S-piperidine derivatives. The electrochemical method was Successively used for the conversion of N-protected piperidines to N-protected 1-methoxypiperidines and for the conversion of 1-methoxy-2,3-didehydropiperidine derivatives to 1,2,3-triacetoxypiperidine derivatives. The method provided a new synthetic route to 2S,3S,6-triacetoxy-5S-methylpiperidine and 2R,3R,6-triacetoxy-5S-methylpiperidine. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.09.036
• 作为产物：
  描述：

  哌啶-1-甲醛 以95%的产率得到
  参考文献：
  名称：

  WARNING K.; MITZLAFF M., TETRAHEDRON LETT., 1979, NO 18, 1565-1566

  摘要：

  DOI：

文献信息

• Substitution reactions of 2-phenylsulphonyl-piperidines and -pyrrolidines with carbon nucleophiles: Synthesis of the pyrrolidine alkaloids norruspoline and ruspolinone
  作者：Dearg S. Brown、Philippe Charreau、Thomas Hansson、Steven V. Ley

  DOI：10.1016/s0040-4020(01)86388-2

  日期：1991.1

  treatment with benzenesulphinic acid. On reaction with various carbon nucleophiles these sulphones gave good yields of substitution products. Typical nucleophiles used in these studies were organometallic reagents derived from Grignard reagents and zinc halide together with silyl enol ethers, silyl ketene acetals, allylsilanes and trimethylsilyl cyanide in the presence of a Lewis acid. These methods

  通过用苯磺酸进行处理，由相应的N-酰基氨基缩醛制备几种2-苯基磺酰基-哌啶和-吡咯烷。在与各种碳亲核试剂反应时，这些砜产生了良好的取代产物收率。这些研究中使用的典型亲核试剂是衍生自Grignard试剂的有机金属试剂和卤化锌，以及在路易斯酸存在下的甲硅烷基烯醇醚，甲硅烷基烯酮缩醛，烯丙基硅烷和三甲基甲硅烷基氰化物。这些方法被用于合成两种天然产物生物碱。去甲去氧肾上腺素（38）和Ruspolinone（40）。
• PROCESS FOR THE PREPARATION OF HALOGENATED BENZOIC ACID DERIVATIVES
  申请人：Bachmann Stephan

  公开号：US20090306423A1

  公开（公告）日：2009-12-10

  The present invention comprises a process for the preparation of 3-chloro-2-fluoro-5-trifluoromethyl benzoic acid of the formula or of a salt thereof. 3-Chloro-2-fluoro-5-trifluoromethyl benzoic acid or salts thereof are versatile intermediates for the preparation of active pharmaceutical or agrochemical agents.

  本发明涉及一种制备3-氯-2-氟-5-三氟甲基苯甲酸或其盐的方法。3-氯-2-氟-5-三氟甲基苯甲酸或其盐是制备活性药物或农药试剂的多功能中间体。
• Process for preparing trimeric .DELTA..sup.1 -piperideins and trimeric
  申请人：Hoechst Aktiengesellschaft

  公开号：US04123434A1

  公开（公告）日：1978-10-31

  Trimeric piperideins and trimeric pyrrolidine are prepared by saponification of 1-acyl-2-alkoxypiperidines or pyrrolidines of the general formula ##STR1## in which n means 2 or 3 R.sub.1 represents hydrogen or a linear or branched C.sub.1 -C.sub.4 alkyl radical and R.sub.2 represents a linear or branched C.sub.1 -C.sub.4 alkyl radical In aqueous and/or alcoholic solution in known manner in the presence of a strong acid or base and trimerizing the reaction product at a pH equal to or greater than 8. The compounds are valuable intermediates for the manufacture of alkaloids and other pharmaceutically effective substances and N-heterocycles.

  三聚吡啶和三聚吡咯烷是通过在存在强酸或碱的情况下，用水和/或醇溶液中以已知方法皂化一般式##STR1##中的1-酰基-2-烷氧基哌啶或吡咯烷制备的，其中n表示2或3，R.sub.1代表氢或线性或支链的C.sub.1-C.sub.4烷基基团，R.sub.2代表线性或支链的C.sub.1-C.sub.4烷基基团。将反应产物三聚化至pH值等于或大于8。这些化合物是制造生物碱和其他药用有效物质以及N-杂环化合物的有价值的中间体。
• Bipolar electrode for anodic processes in undivided cells
  申请人：Hoechst Aktiengesellschaft

  公开号：US04404082A1

  公开（公告）日：1983-09-13

  Bipolar electrodes of graphite or glassy carbon are provided on the cathode side with metal nets of a material reducing the hydrogen overvoltage, such as nickel, copper, titanium, steel or brass and between the metal nets and the next anode a spacer made of an insulating material is inserted.

  石墨或玻璃碳双极电极在阴极侧配有降低氢过电位的金属网，如镍、铜、钛、钢或黄铜，并在金属网和下一个阳极之间插入绝缘材料制成的间隔件。
• A flow electrochemistry‐enabled synthesis of 2‐substituted <i>N</i> ‐(methyl‐ <i>d</i> )piperidines
  作者：Azzam A. M. AL‐Hadedi、Stuart Sawyer、Stuart J. Elliott、Robert A. Green、Daniel J. O'Leary、Richard C. D. Brown、Lynda J. Brown

  DOI：10.1002/jlcr.4006

  日期：2022.12

  A synthesis of N-monodeuteriomethyl-2-substituted piperidines is described. An efficient and readily scalable anodic methoxylation of N-formylpiperidine in an undivided microfluidic electrolysis cell delivers methoxylated piperidine 3, which is a precursor to a N-formyliminium ion and enables C-nucleophiles to be introduced at the 2-position. The isotopically labelled N-deuteriomethyl group is installed

  描述了N -monodeuteriomethyl-2-substituted piperidines的合成。在未分隔的微流体电解槽中，N-甲酰基哌啶的高效且易于扩展的阳极甲氧基化可提供甲氧基化哌啶3 ，它是N-甲酰亚胺离子的前体，可在 2 位引入 C-亲核试剂。同位素标记的N -氘甲基是使用 Eschweiler–Clarke 反应与甲酸-d 2和未标记的甲醛安装的。单氘氮这些分子系统中的甲基具有小的各向同性质子化学位移差异，这对于研究能够在溶液核磁共振中支持长寿命核自旋态的分子非常重要。

表征谱图