pseudotropine | 135-97-7

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 托烷生物碱
• 英文名称: pseudotropine
• 英文别名: (1R,3s,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol；3α-tropine；Ψ-tropine；exo-tropine；tropanol；Pseudotropin
• CAS: 135-97-7
• 化学式: C₈H₁₅NO
• 分子量: 141.213
• InChiKey: CYHOMWAPJJPNMW-RNLVFQAGSA-N

物化性质

• 熔点：
  109°
• 沸点：
  bp 241°
• 密度：
  0.9938 (rough estimate)
• 溶解度：
  可溶于氯仿（少许）、甲醇（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  10.0
• 可旋转键数：
  0.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  23.47
• 氢给体数：
  1.0
• 氢受体数：
  2.0

安全信息

• 储存条件：
  2-8°C

SDS

Material Safety Data Sheet

---

Section 1. Identification of the substance
Product Name: Pseudotropanol
Synonyms: Exo-8-Methyl-8-azabicyclo[3.2.1]octan-3-ol

---

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

---

Section 3. Composition/information on ingredients.
Ingredient name: Pseudotropanol
CAS number: 135-97-7

---

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.

---

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.

---

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.

---

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:

---

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.

---

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: C8H15NO
Molecular weight: 141.2

---

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.

---

Section 11. Toxicological information
No data.

---

Section 12. Ecological information
No data.

---

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.

---

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

---

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.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

用途：用作医药中间体

反应信息

• 作为反应物：
  描述：

  pseudotropine 在 sodium hydroxide 、 氯化亚砜 作用下， 以 氯仿 为溶剂， 生成 3-Chloro-8-methyl-8-azabicyclo[3.2.1]octane
  参考文献：
  名称：

  Use of certain imidazol carbazols in treating stress-related

  摘要：

  在制造适用于治疗与压力相关的精神障碍、增加警觉性、治疗鼻炎或血清素诱导的疾病和/或与另一种活性药物联合使用以增加其生物利用度，或用于鼻腔给药的药物中，使用单环或双环碳环、或杂环羧酸酯或酰胺或咪唑基咔唑。

  公开号：

  US05561149A1
• 作为产物：
  描述：

  3exo-(4-nitro-benzoyloxy)-tropane 在 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 反应 40.0h， 生成 pseudotropine
  参考文献：
  名称：

  FUSED BICYCLOHETEROCYCLE SUBSTITUTED AZABICYCLIC ALKANE DERIVATIVES

  摘要：

  该发明涉及融合的双环杂环烃基取代的氮杂双环戊烷衍生物，包括此类化合物的组合物，以及使用这些化合物和组合物治疗病症和疾病的方法。

  公开号：

  US20080045539A1

文献信息

• New convergent one pot synthesis of amino benzyl ethers bearing a nitrogen-containing bicycle
  作者：Jhon J. López、Edwin G. Pérez

  DOI：10.1080/00397911.2019.1568498

  日期：2019.3.4

  Abstract We report herein a new convergent one pot method for the synthesis of amino benzyl ethers containing a bicyclic amine, derived from different substituted benzyl alcohols and bicyclic amino alcohols such as tropine, pseudotropine, and 3-quinuclidinol, using chlorotrimethylsilane and sodium iodide. In order to avoid the competitive reaction with the nitrogen atom, a solution of the separately

  摘要 我们在此报告了一种新的聚合一锅法，用于合成含有双环胺的氨基苄基醚，该氨基苄基醚衍生自不同的取代苄醇和双环氨基醇，如托品、赝托品和 3-奎宁环，使用三甲基氯硅烷和碘化钠。为了避免与氮原子的竞争反应，将单独制备的托品、拟托品和3-奎宁环醇的醇盐溶液加入到预先形成的取代苄基碘中，并在氮气氛下在90℃回流15小时. 与现有方法相比，该方法为有机合成中氨基苄基醚的制备提供了一种有效的替代方法，收率良好。图形概要
• Über Diarylmethanderivate von 6-Alkoxytropinen und N-Alkylnortropinen. 12. Mitteilung über Alkaloidsynthesen
  作者：E. Jucker、A. Lindenmann

  DOI：10.1002/hlca.19590420717

  日期：——

  Es werden Synthesen von Diarylmethyläthern, Äthern des Benzilsäureamids und von Diarylmethylaminen von Tropan-Derivaten beschrieben. Einige der neuen Verbindungen zeigen anticholinergische und histaminhemmende Wirkungen.

  描述了二芳基甲基醚，苯甲酸酰胺的醚和托烷衍生物的二芳基甲基胺的合成。一些新化合物显示出抗胆碱能和组胺抑制作用。
• Selective Ring-Opening of <i>N</i>-Alkyl Pyrrolidines with Chloroformates to 4-Chlorobutyl Carbamates
  作者：Chunghyeon Yu、Mahbubul Alam Shoaib、Naeem Iqbal、Jun Soo Kim、Hyun-Joon Ha、Eun Jin Cho

  DOI：10.1021/acs.joc.7b00681

  日期：2017.7.7

  pyrrolidines and 4-chlorobutyl carbamates. The pathway taken depends on the substituent on the nitrogen, i.e., ring-opening with methyl and ethyl substituents and dealkylation with a benzyl substituent. Computational calculations support the substituent-dependent product formation by showing the energy difference between the transition states of both reaction pathways. Selective ring-opening reactions of

  我们的研究表明，在各种环大小的氮杂杂环（包括氮丙啶，氮杂环丁烷，吡咯烷和哌啶）中，只有N-烷基吡咯烷与氯甲酸酯发生竞争性反应途径，以生成N-脱烷基吡咯烷和4-氯丁基氨基甲酸酯。所采用的途径取决于氮上的取代基，即与甲基和乙基取代基的开环以及与苄基取代基的脱烷基。计算计算通过显示两个反应路径过渡态之间的能量差来支持取代基依赖性产物的形成。N-甲基和N的选择性开环反应用具有氯甲酸酯的-乙基吡咯烷衍生物来制备各种4-氯丁基氨基甲酸酯衍生物，作为有价值的1，4-双官能化合物。
• [EN] BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS<br/>[FR] INHIBITEURS DE HSP90 DÉRIVÉS DE BIPHÉNYLAMIDE
  申请人：UNIV KANSAS

  公开号：WO2015070091A1

  公开（公告）日：2015-05-14

  Compounds of the formulas are provided: wherein variables Y1-Y5, X1-X5, A1-A4, x, y, n1, n2, and R1-R15 are as defined herein. Pharmaceutical compositions of the compounds are also provided. In some aspects, these compounds are are useful for the treatment of a disease or disorder, including, for example, a proliferative disease, such as cancer.

  提供具有以下公式的化合物：其中变量Y1-Y5、X1-X5、A1-A4、x、y、n1、n2和R1-R15按本文定义。还提供了这些化合物的药物组合物。在某些方面，这些化合物对于治疗一种疾病或失调，包括例如增殖性疾病（如癌症）是有用的。
• (Halo-benzo carbonyl)heterocyclo fused phenyl p38 kinase inhibiting agents
  申请人：——

  公开号：US20030092712A1

  公开（公告）日：2003-05-15

  Compounds described by the chemical formula (I) or a pharmaceutically acceptable salt thereof: 1 are inhibitors of p38 useful in the treatment of inflammatory diseases such as arthritis.

  根据化学公式(I)或其药物可接受的盐描述的化合物： 1 是p38的抑制剂，可用于治疗类风湿性关节炎等炎症性疾病。