1-BOC-3-吡咯烷乙酸 | 175526-97-3

• 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 - 吡咯烷类
• 中文名称: 1-BOC-3-吡咯烷乙酸
• 中文别名: N-Boc-3-乙酸吡咯烷；1-Boc-吡咯烷-3-乙酸；[1-(叔丁氧羰基)-3-吡咯烷基]乙酸；N-叔丁氧羰基吡咯烷-3-乙酸；1-BOC-吡咯烷-3-乙酸；N-BOC-3-四氢吡咯乙酸
• 英文名称: 2-(1-(tert-butoxycarbonyl)pyrrolidin-3-yl)acetic acid
• 英文别名: 1-Boc-3-pyrrolidineacetic acid；2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]acetic acid
• CAS: 175526-97-3
• 化学式: C₁₁H₁₉NO₄
• mdl: MFCD02179024
• 分子量: 229.276
• InChiKey: SKEXQIJIXQSFRX-UHFFFAOYSA-N

物化性质

• 沸点：
  357.4±15.0 °C(Predicted)
• 密度：
  1.151±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.818
• 拓扑面积：
  66.8
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险品标志：
  T,N
• 危险类别码：
  R36/37/38
• 海关编码：
  2933990090
• 安全说明：
  S26,S36/37/39
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: N-Boc-3-pyrrolidineacetic acid
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
P273: Avoid release to the environment
P301+P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician

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Section 3. Composition/information on ingredients.
Ingredient name: N-Boc-3-pyrrolidineacetic acid
CAS number: 175526-97-3

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Section 4. First aid measures
Immediately wash skin with copious amounts of water for at least 15 minutes while removing
Skin contact:
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.
Storage: Store in closed vessels.

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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
Not specified
Appearance:
Boiling point: No data
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C11H19NO4
Molecular weight: 229.3

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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
UN Number: UN2811 Class: 6.1 Packing group: III
Proper shipping name: TOXIC SOLIDS, ORGANIC, N.O.S. (N-Boc-3-pyrrolidineacetic acid)

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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：

  1-BOC-3-吡咯烷乙酸 在 硼烷四氢呋喃络合物 、 sodium carbonate 、 氯化铵 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.5h， 生成 tert-butyl 3-(2-(((benzyloxy)carbonyl)amino)ethyl)pyrrolidine-1-carboxylate
  参考文献：
  名称：

  FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF

  摘要：

  本文提供了作为MK2抑制剂有用的替代融合四环化合物。本发明还提供了所述化合物的药物组合物。本发明还提供了替代融合四环化合物的医药用途。

  公开号：

  US20170190713A1
• 作为产物：
  描述：

  1-Boc-3-吡咯烷乙酸甲酯 、 sodium hydroxide 在 盐酸 、 乙酸乙酯 、 Brine 、 Sodium sulfate-III 作用下， 以 甲醇 为溶剂， 反应 16.0h， 以gave 5.67 g of [1-(tert-butoxycarbonyl)-pyrrolidin-3-yl]acetic acid的产率得到1-BOC-3-吡咯烷乙酸
  参考文献：
  名称：

  Dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes

  摘要：

  本发明涉及抑制二肽基肽酶IV酶（“DP-IV抑制剂”）的化合物，这些化合物可用于治疗或预防二肽基肽酶IV酶参与的疾病，例如糖尿病，特别是2型糖尿病。本发明还涉及包括这些化合物的药物组合物以及在预防或治疗二肽基肽酶IV酶参与的这些疾病中使用这些化合物和组合物。

  公开号：

  US07026316B2

文献信息

• MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS
  申请人：Combs Andrew Paul

  公开号：US20090286778A1

  公开（公告）日：2009-11-19

  The present invention relates to macrocyclic compounds of Formula I: or pharmaceutically acceptable salts thereof or quaternary ammonium salts thereof wherein constituent members are provided hereinwith, as well as their compositions and methods of use, which are JAK/ALK inhibitors useful in the treatment of JAK/ALK-associated diseases including, for example, inflammatory and autoimmune disorders, as well as cancer.

  本发明涉及以下化学式I的大环化合物： 或其药用可接受盐或季铵盐，其中所述成员在此提供，并且它们的组成物和使用方法，这些JAK/ALK抑制剂在治疗JAK/ALK相关疾病中有用，例如炎症和自身免疫性疾病以及癌症。
• [EN] GCN2 INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS DE GCN2 ET LEURS UTILISATIONS
  申请人：MERCK PATENT GMBH

  公开号：WO2019148132A1

  公开（公告）日：2019-08-01

  The present invention provides compounds, compositions thereof, and methods of using the same.

  本发明提供了化合物、其组合物以及使用它们的方法。
• Novel Compounds 002
  申请人：Beha Sara

  公开号：US20090062251A1

  公开（公告）日：2009-03-05

  Compounds of Formulae I, or pharmaceutically acceptable salts thereof: wherein R 1 , R 2 and Y are as defined in the specification as well as salts and pharmaceutical compositions including the compounds are prepared. They are useful in therapy, in particular in the management of pain.

  式I的化合物，或其药用可接受的盐： 其中R1、R2和Y如规范中定义的那样，以及包括这些化合物的盐和药物组合物已经准备好。它们在治疗中很有用，特别是在疼痛管理中。
• [EN] INHIBITORS OF ανβ6 INTEGRIN<br/>[FR] INHIBITORS DE L'INTÉGRINE ανβ6
  申请人：MORPHIC THERAPEUTIC INC

  公开号：WO2020081154A1

  公开（公告）日：2020-04-23

  Disclosed are small molecule inhibitors of ανβ6 integrin, and methods of using them to treat a number of diseases and conditions.

  揭示了ανβ6整合素的小分子抑制剂，以及使用它们治疗多种疾病和症状的方法。
• [EN] ATX MODULATING AGENTS<br/>[FR] AGENTS DE MODULATION D'ATX
  申请人：BIOGEN MA INC

  公开号：WO2015188051A1

  公开（公告）日：2015-12-10

  Compounds of formula (I) can modulate the activity of autotaxin (ATX).

  式(I)的化合物可以调节自体税肽酶（ATX）的活性。