7Alpha-双稠吡咯啶-乙酸盐酸盐 | 124655-63-6

• 物质功能分类: 有机原料 - 杂环化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯里西啶类
• 中文名称: 7Alpha-双稠吡咯啶-乙酸盐酸盐
• 中文别名: 四氢-1H-吡咯里嗪-7a(5H)-乙酸盐酸盐；7α-双稠吡咯啶-乙酸盐酸盐；7Α-双稠吡咯啶-乙酸盐酸盐；双稠吡咯啶-9-盐酸盐
• 英文名称: 7α-bis-pyrrolidine-acetic acid hydrochloride
• 英文别名: tetrahydro-1H-pyrrolizidine-7a(5H)-acetic acid hydrochloride；2-(tetrahydro-1H-pyrrolizin-7a(5H)-yl)acetic acid hydrochloride；Tetrahydro-1H-pyrrolizine-7a(5H)-acetic acid hydrochloride；2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetic acid;hydrochloride
• CAS: 124655-63-6
• 化学式: C₉H₁₅NO₂*ClH
• mdl: MFCD09032985
• 分子量: 205.685
• InChiKey: XEZNJLFXMUJHTN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.03
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.888
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2933990090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  室温且干燥

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: Tetrahydro-1h-pyrrolizine-7a(5h)-acetic acid, HCl
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: Tetrahydro-1h-pyrrolizine-7a(5h)-acetic acid, HCl
CAS number: 124655-63-6

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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: C9H15NO2.ClH
Molecular weight: 205.7

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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, hydrogen chloride.

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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：

  7Alpha-双稠吡咯啶-乙酸盐酸盐 、 2,6-二甲基苯胺 在 三氯氧磷 、 sodium hydroxide 、 盐酸 作用下， 以 氯仿 、 水 、 甲醇 为溶剂， 反应 2.0h， 以298 mg的产率得到盐酸吡西卡尼
  参考文献：
  名称：

  피롤리지딘 화합물 제조 방법 및 피롤리지딘 염산염 1/2 수화물 제조 방법

  摘要：

  本发明涉及吡唑啉化合物的制备方法和吡唑啉盐酸盐1/2水合物的制备方法，根据本发明，包括使用磷酰氯（POCl）和吡啶，以及萘中间体的反应来降低吡唑啉化合物和吡唑啉盐酸盐1/2水合物的制造成本，同时解决制造环境问题并提高制造产率。

  公开号：

  KR20210082689A
• 作为产物：
  描述：

  5-甲氧羰基甲基-1-氮杂双环[3.3.0]辛烷 在 盐酸 作用下， 以 水 为溶剂， 反应 12.0h， 以75.8%的产率得到7Alpha-双稠吡咯啶-乙酸盐酸盐
  参考文献：
  名称：

  盐酸吡西卡尼中间体的制备方法

  摘要：

  本发明提供一种盐酸吡西卡尼中间体的制备方法，其特征在于，包括：步骤一、在强碱、预定条件下丁内酰胺(Ⅰ)和γ‑丁内酯(Ⅱ)发生聚合反应生成N‑(3‑羧基丙基)丁内酰胺(Ⅲ)；步骤二、N‑(3‑羧基丙基)丁内酰胺(Ⅲ)在丙二酸单异丙酯溶剂中高温下环化并与丙二酸单酯盐缩合生成7α‑双稠吡咯啶‑乙酸酯；较佳的选择为生成7α‑双稠吡咯啶‑乙酸异丙酯(Ⅴ)。步骤三、7α‑双稠吡咯啶‑乙酸酯在酸中水解生成对应的药学上可接受的盐。本发明的制备方法避开了昂贵或者难获得的原料，避开了合成过程中使用液氨，并减少了反应步骤，操作简便，三废少，收率高。

  公开号：

  CN109867679B

文献信息

• [EN] N-HETEROARYLALKYL-2-(HETEROCYCLYL AND HETEROCYCLYLMETHYL) ACETAMIDE DERIVATIVES AS SSTR4 AGONISTS<br/>[FR] DÉRIVÉS DE N-HÉTÉROARYLALKYLE-2-(HÉTÉROCYCLYLE ET HÉTÉROCYCLYLMÉTHYLE) ACÉTAMIDE UTILISÉS EN TANT QU'AGONISTES DE SSTR4
  申请人：TAKEDA PHARMACEUTICALS CO

  公开号：WO2021202781A1

  公开（公告）日：2021-10-07

  Disclosed are compounds of Formula 1, and pharmaceutically acceptable salts thereof, wherein L, n, R1, R2, R6, R7, R8, R9, R10, X3, X4 and X5 are defined in the specification. This disclosure also relates to materials and methods for preparing compounds of Formula 1, to pharmaceutical compositions which contain them, and to their use for treating diseases, disorders, and conditions associated with SSTR4.

  揭示了Formula 1的化合物及其药用盐，其中L、n、R1、R2、R6、R7、R8、R9、R10、X3、X4和X5在说明书中有定义。本公开还涉及制备Formula 1化合物的材料和方法，包含它们的药物组合物，以及它们用于治疗与SSTR4相关的疾病、疾患和症状的用途。
• Pyrrolizidine derivative
  申请人：SUNTORY KABUSHIKI KAISHA, also known as SUNTORY LTD.

  公开号：EP0153855A2

  公开（公告）日：1985-09-04

  A novel pyrrolizidine derivative of the formula, has potent antiarrhythmic activity and low toxicity. The derivative can be synthesized: by acylating 2,6-xylidine to protect the amino group, nitrating the protected xylidine to introduce a nitro group at 3-position, reducing the nitro group to an amino group, followed by diazotizing and hydrolyzing, and then the resulted 3-hydroxy-2,6-dimethylaniline being condensed with 8-halocarbonylmethyl- pyrrolizidine; or by nitrating N-(2',6-'-dimethyi)phenyl-8-pyrrolizidineacetamide to introduce a nitro group at 3'- position, reducing the nitro group to amino group, diazotizing the amino group and hydrolyzing the diazonium compound.

  一种新型吡咯烷衍生物具有强效抗心律失常活性和低毒性，其合成方法为：酰化 2,6-二甲基苯胺以保护氨基，硝化被保护的二甲基苯胺以在 3 位引入硝基，将硝基还原为氨基，然后重氮化和水解，最后将生成的 3-羟基-2,6-二甲基苯胺与 8-正羰基甲基-吡咯烷缩合；或硝化 N-(2',6-'-二甲基)苯基-8-吡咯烷乙酰胺以在 3'-位引入硝基，将硝基还原为氨基，重氮化氨基并水解重氮化合物。
• US4751232A
  申请人：——

  公开号：US4751232A

  公开（公告）日：1988-06-14
• CN116514818
  申请人：——

  公开号：——

  公开（公告）日：——