2-氨基-1-环己烯-1-羧酸甲酯 | 56661-88-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 乙烯基酰胺
• 中文名称: 2-氨基-1-环己烯-1-羧酸甲酯
• 英文名称: methyl 2-amino-1-cyclohexene-1-carboxylate
• 英文别名: methyl 2-aminohex-1-enecarboxylate；methyl 2-aminocyclohex-1-ene-1-carboxylate；methyl 2-aminocyclohexene-1-carboxylate
• CAS: 56661-88-2
• 化学式: C₈H₁₃NO₂
• mdl: MFCD00216928
• 分子量: 155.197
• InChiKey: RMXRUKCQJHLQFA-UHFFFAOYSA-N

物化性质

• 熔点：
  50-53 °C
• 沸点：
  279°C (rough estimate)
• 密度：
  1.1174 (rough estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.625
• 拓扑面积：
  52.3
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 安全说明：
  S24/25
• 海关编码：
  2922499990

SDS

Name:	Methyl 2-amino-1-cyclohexene-1-carboxylate 99% Material Safety Data Sheet
Synonym:
CAS:	56661-88-2

Section 1 - Chemical Product MSDS Name:Methyl 2-amino-1-cyclohexene-1-carboxylate 99% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
56661-88-2	Methyl 2-amino-1-cyclohexene-1-carboxy	99%	unlisted

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

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Not available.
Potential Health Effects
The toxicological properties of this material have not been investigated. Use appropriate procedures to prevent opportunities for direct contact with the skin or eyes and to prevent inhalation.

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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 immediately.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Remove contaminated clothing and shoes.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
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.
Extinguishing Media:
Use agent most appropriate to extinguish fire.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation.
Storage:
Store in a cool, dry place. Keep container closed when not in use.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels.
Exposure Limits CAS# 56661-88-2: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to minimize contact with skin.
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: Crystalline powder
Color: yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 50 - 53 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: soluble in ethylacetate, ethanol, methan
Specific Gravity/Density:
Molecular Formula: C8H13NO2
Molecular Weight: 155.2

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Irritating and toxic fumes and gases.
Hazardous Polymerization: Not available.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 56661-88-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Methyl 2-amino-1-cyclohexene-1-carboxylate - 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
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing group:

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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.
WGK (Water Danger/Protection)
CAS# 56661-88-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 56661-88-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 56661-88-2 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：

  2-氨基-1-环己烯-1-羧酸甲酯 在 potassium carbonate 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 15.0h， 生成 (2R*,3S*)-tert-butyl 3-hydroxy-2-(2-oxo-3-(4-oxo-5,6,7,8-tetrahydroquinazolin-3(4H)-yl)propyl)piperidine-1-carboxylate
  参考文献：
  名称：

  Febrifugine衍生物的合成和有效安全的四氢喹唑啉型抗疟药的开发

  摘要：

  Febrifugine是一种从费氏地蝇（Dichroa febrifuga）根中分离出来的喹唑啉生物碱，对恶性疟原虫具有强大的抗疟活性。尽管由于其严重的副作用已排除了将阿昔福林用作抗疟药，但其强大的抗疟活性已刺激药用化学家们追求其衍生物，这可能为新型抗疟药提供了有价值的线索。在目前的研究中，我们合成了新的非溴夫定衍生物，并评估了它们的体外和体内抗疟活性，以开发出更有效，更安全的抗疟药物。结果，我们提出了四氢喹唑啉型衍生物作为安全有效的抗疟候选药。

  DOI：

  10.1016/j.ejmech.2014.01.036
• 作为产物：
  描述：

  2-Amino-cyclohexan-carbonsaeure-methylester 在 1,1,1-三甲基-N-(三苯基正膦亚基)硅烷胺 、 对甲苯磺酸 、 异丙醇 作用下， 以 甲苯 为溶剂， 反应 10.0h， 生成 2-氨基-1-环己烯-1-羧酸甲酯
  参考文献：
  名称：

  Febrifugine衍生物的合成和有效安全的四氢喹唑啉型抗疟药的开发

  摘要：

  Febrifugine是一种从费氏地蝇（Dichroa febrifuga）根中分离出来的喹唑啉生物碱，对恶性疟原虫具有强大的抗疟活性。尽管由于其严重的副作用已排除了将阿昔福林用作抗疟药，但其强大的抗疟活性已刺激药用化学家们追求其衍生物，这可能为新型抗疟药提供了有价值的线索。在目前的研究中，我们合成了新的非溴夫定衍生物，并评估了它们的体外和体内抗疟活性，以开发出更有效，更安全的抗疟药物。结果，我们提出了四氢喹唑啉型衍生物作为安全有效的抗疟候选药。

  DOI：

  10.1016/j.ejmech.2014.01.036

文献信息

• Niacin receptor agonists, compositions containing such compounds and methods of treatment
  申请人：Raghavan Subharekha

  公开号：US20060293364A1

  公开（公告）日：2006-12-28

  The present invention encompasses compounds of Formula I: as well as pharmaceutically acceptable salts and hydrates thereof, that are useful for treating atherosclerosis, dyslipidemias and the like. Pharmaceutical compositions and methods of use are also included.

  本发明涵盖了Formula I的化合物： 以及其药用可接受的盐和水合物，用于治疗动脉粥样硬化、血脂异常等疾病。药物组合物和使用方法也包括在内。
• INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE
  申请人：Hurley Timothy Brian

  公开号：US20090325948A1

  公开（公告）日：2009-12-31

  The present invention relates to compounds that are selective and/or potent inhibitors of UPPS. In addition to compounds which inhibit UPPS, the invention also provides pharmaceutical compositions comprising these compounds and methods of using these compounds for treating bacterial disease, such as bacterial infection.

  本发明涉及选择性和/或有效抑制UPPS的化合物。除了抑制UPPS的化合物外，本发明还提供包含这些化合物的药物组合物以及使用这些化合物治疗细菌性疾病，如细菌感染的方法。
• [EN] 3-HETEROCYCLIC SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF<br/>[FR] DÉRIVÉS D'INDOLE À SUBSTITUTION HÉTÉROCYCLIQUE EN POSITION 3 ET LEURS PROCÉDÉS D'UTILISATION
  申请人：SCHERING CORP

  公开号：WO2009064848A1

  公开（公告）日：2009-05-22

  The present invention relates to 3-Heterocyclic Substituted Indole Derivatives, compositions comprising at least one 3-Heterocyclic Substituted Indole Derivative, and methods of using the 3-Heterocyclic Substituted Indole Derivatives for treating or preventing a viral infection or a virus-related disorder in a patient.

  本发明涉及3-杂环取代吲哚衍生物，包括至少一种3-杂环取代吲哚衍生物的组合物，以及使用3-杂环取代吲哚衍生物治疗或预防患者的病毒感染或与病毒相关的疾病的方法。
• Synthesis of New Fused Pyrimidines by Isocyanate and Isothiocyanate.
  作者：A.Z.M. Shaifullah CHOWDHURY、Yasuyuki SHIBATA

  DOI：10.1248/cpb.49.391

  日期：——

  o-Aminonitrile or o-aminoester compounds were cyclized to fused pyrimidines by reacting with ethyl iso(thio)cyanatoacetate in pyridine, and then were methylated, halogenated and subsequently displaced by the amines studied.

  通过与异（硫）氰基乙酸乙酯在吡啶中反应，将邻氨基腈或邻氨基酯化合物环化成稠合的嘧啶，然后将其甲基化，卤化，然后用所研究的胺置换。
• [EN] FUSED CYCLOALKYLIMIDAZOPYRIDINES<br/>[FR] CYCLOALKYLIMIDAZOPYRIDINES FUSIONNEES
  申请人：MINNESOTA MINING AND MANUFACTURING COMPANY

  公开号：WO1995002598A1

  公开（公告）日：1995-01-26

  (EN) 6,7-Propylene-, butylene-, or pentylene-bridged imidazopyridin-4-amines of formula (I) that induce interferon ($g(a)) biosynthesis in human cells. Also disclosed are pharmaceutical compositions containing such compounds and methods of inducing interferon ($g(a)) biosynthesis and treating viral infections involving the use of such compounds.(FR) L'invention concerne des imidazopyridin-4-amines avec un pont 6,7-propylène, butylène ou pentylène, représentées par la formule (I), qui induisent la biosynthèse de l'interféron ($g(a)) dans des cellules humaines. On décrit également des compositions pharmaceutiques contenant de tels composés et des procédés pour induire la biosynthèse de l'interféron ($g(a)), ainsi que l'utilisation de tels composés dans le traitement d'infections virales.

  6,7-丙烯基、丁烯基或戊烯基桥接的式(I)的咪唑吡啶-4-胺化合物能在人类细胞中诱导干扰素($g(a))的生物合成。本发明还涉及包含这种化合物的制药组合物以及诱导干扰素($g(a))生物合成和治疗涉及使用这种化合物的病毒感染的方法。