顺式-2-甲基六氢吡咯并[3,4-c]吡咯 | 172739-03-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 中文名称: 顺式-2-甲基六氢吡咯并[3,4-c]吡咯
• 中文别名: 顺式-(9CI)-八氢-2-甲基-吡咯并[3,4-c]吡咯；顺式-2-甲基六氢吡咯并[3,4-C]吡咯
• 英文名称: (3aR,6aS)-2-methyloctahydropyrrolo[3,4-c]pyrrole
• 英文别名: 2-methyloctahydropyrrolo[3,4-c]pyrrole；cis-2-methyloctahydropyrrolo[3,4-c]pyrrole；cis-2-methylhexahydropyrrolo[3,4-c]pyrrole；(3aR,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
• CAS: 172739-03-6
• 化学式: C₇H₁₄N₂
• 分子量: 126.202
• InChiKey: YQURLNGUWNDBIR-KNVOCYPGSA-N

物化性质

• 沸点：
  181.5±8.0 °C(Predicted)
• 密度：
  0.970±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  15.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 储存条件：
  室温且干燥环境下使用。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: Cis-2-methylhexahydropyrrolo[3,4-c]pyrrole
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

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Section 3. Composition/information on ingredients.
Ingredient name: Cis-2-methylhexahydropyrrolo[3,4-c]pyrrole
CAS number: 172739-03-6

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Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

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Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

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Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

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Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels.
Storage:

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Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

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Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C7H14N2
Molecular weight: 126.2

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Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides.

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Section 11. Toxicological information
No data.

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Section 12. Ecological information
No data.

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Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

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Section 14. Transportation information
Non-harzardous for air and ground transportation.

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Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  顺式-2-甲基六氢吡咯并[3,4-c]吡咯 在 盐酸 、 potassium carbonate 、 potassium iodide 作用下， 以 甲醇 、 水 、 丙酮 为溶剂， 生成 2-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]acetaldehyde
  参考文献：
  名称：

  Expeditious one-pot synthesis of C3-piperazinyl-substituted quinolines: key precursors to potent c-Met inhibitors

  摘要：

  一种有效的单锅合成具有多样化C3-哌嗪基团的喹啉的方法被开发出来，采用了改进的Friedländer反应。该方法不仅能够大规模合成我们早期报道的c-Met抑制剂，还为生成新型多取代喹啉提供了一种途径，以便进一步进行结构-活性关系（SAR）研究。

  DOI：

  10.1039/c1ob05830d

文献信息

• Melanin Concentrating Hormone Receptor-1 Antagonist Pyridinones
  申请人：Armour R. Duncan

  公开号：US20080085884A1

  公开（公告）日：2008-04-10

  The present invention provides for MCHR1 antagonist compounds of formula (I) and the pharmaceutically acceptable salts, solvates and prodrugs thereof, wherein the substituents are as defined herein, and the pharmaceutically acceptable salts, solvates and prodrugs thereof, which are useful in treating diseases or conditions wherein antagonism of the MCHR1 receptor is beneficial.

  本发明提供了式（I）的MCHR1拮抗剂化合物及其药用盐、溶剂合物和前药，其中取代基如本文所定义，并且其药用盐、溶剂合物和前药，可用于治疗对MCHR1受体拮抗有益的疾病或症状。
• [EN] TRICYCLIC GYRASE INHIBITORS FOR USE AS ANTIBACTERIAL AGENTS<br/>[FR] INHIBITEURS TRICYCLIQUES DE GYRASE UTILISABLES COMME AGENTS ANTIBACTÉRIENS
  申请人：TRIUS THERAPEUTICS INC

  公开号：WO2014043272A1

  公开（公告）日：2014-03-20

  Disclosed herein are compounds having the structure of Formula I and pharmaceutically suitable salts, esters, and prodrugs thereof that are useful as antibacterially effective tricyclic gyrase inhibitors. In addition, species of tricyclic gyrase inhibitors compounds are also disclosed herein. Related pharmaceutical compositions, uses and methods of making the compounds are also contemplated.

  本文披露了具有化学式I结构的化合物及其药用盐、酯和前药，这些化合物可用作抗菌有效的三环酶抑制剂。此外，本文还披露了三环酶抑制剂化合物的种属。还考虑了相关的药用组合物、用途和制备这些化合物的方法。
• THIADIAZOLE ANALOGS THEREOF AND METHODS FOR TREATING SMN-DEFICIENCY-RELATED-CONDITIONS
  申请人：AXFORD Jake

  公开号：US20140206661A1

  公开（公告）日：2014-07-24

  The present invention provides a compound of Formula (X) or a pharmaceutically acceptable salt thereof; a method for manufacturing the compounds of the invention, and its therapeutic uses. The present invention further provides a combination of pharmacologically active agents and a pharmaceutical composition.

  本发明提供了一种公式（X）的化合物或其药用盐；一种制造本发明化合物的方法及其治疗用途。本发明进一步提供了一种药物活性剂的组合物和一种药物组合物。
• [EN] NAMPT INHIBITORS<br/>[FR] INHIBITEURS DE LA NAMPT
  申请人：ABBOTT LAB

  公开号：WO2013067710A1

  公开（公告）日：2013-05-16

  Disclosed are compounds which inhibit the activity of NAMPT, compositions containing the compounds and methods of treating diseases during which NAMPT is expressed.

  揭示了抑制NAMPT活性的化合物，含有这些化合物的组合物以及治疗NAMPT表达期间的疾病的方法。
• [EN] 1,4-DISUBSTITUTED PYRIDAZINE DERIVATIVES AND THEIR USE FOR TREATING SMN-DEFICIENCY-RELATED CONDITIONS<br/>[FR] DÉRIVÉS DE PYRIDAZINE 1,4-DISUBSTITUÉS ET LEUR UTILISATION POUR LE TRAITEMENT DE PATHOLOGIES LIÉES À UNE DÉFICIENCE EN SMN
  申请人：NOVARTIS AG

  公开号：WO2015017589A1

  公开（公告）日：2015-02-05

  The present invention provides a compound of formula IA or a pharmaceutically acceptable salt thereof; 5 (IA) a method for manufacturing the compounds of the invention, and its therapeutic uses. The present invention further provides a combination of pharmacologically active agents and a pharmaceutical composition.

  本发明提供了一种公式IA的化合物或其药用盐；5（IA）一种制造本发明化合物的方法及其治疗用途。本发明进一步提供了一种药物活性剂的组合物和药物组合物。