(R)-1-(叔丁氧基羰基)-3-吡咯烷-甲磺酸酯 | 127423-61-4

• 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: (R)-1-(叔丁氧基羰基)-3-吡咯烷-甲磺酸酯
• 中文别名: (R)-1-Boc-3-甲磺酰氧基吡咯烷
• 英文名称: tert-butyl (3R)-3-methylsulfonyloxypyrrolidine-1-carboxylate
• 英文别名: (R)-tert-butyl 3-((methylsulfonyl)oxy)pyrrolidine-1-carboxylate；tert-butyl (R)-3-((methylsulfonyl)oxy)pyrrolidine-1-carboxylate；(R)-3-methanesulfonyloxy-pyrrolidine-1-carboxylic acid tert-butyl ester；(R)-1-boc-3-methanesulfonyloxypyrrolidine；(3R)-1-(tert-butoxycarbonyl)-3-methanesulfonyloxy pyrrolidine
• CAS: 127423-61-4
• 化学式: C₁₀H₁₉NO₅S
• 分子量: 265.331
• InChiKey: KWQRKOSMSFLBTJ-MRVPVSSYSA-N

物化性质

• 沸点：
  392.9±31.0 °C(Predicted)
• 密度：
  1.25±0.1 g/cm3(Predicted)
• pKa：
  -3.65±0.40 (Predicted,Most Basic Temp: 25 °C)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  81.3
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 海关编码：
  2933990090
• 包装等级：
  III
• 危险类别：
  6.1
• 危险性防范说明：
  P301+P310
• 危险品运输编号：
  2811
• 危险性描述：
  H301
• 储存条件：
  存储条件：2-8℃，干燥，密封。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: (R)-1-Boc-3-methanesulfonyloxypyrrolidine
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: (R)-1-Boc-3-methanesulfonyloxypyrrolidine
CAS number: 127423-61-4

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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, refrigerated.
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: C10H19NO5S
Molecular weight: 265.3

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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, sulfur 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：

  (R)-1-(叔丁氧基羰基)-3-吡咯烷-甲磺酸酯 在 sodium azide 作用下， 以 DMF (N,N-dimethyl-formamide) 为溶剂， 反应 8.0h， 生成 (S)-tert-butyl 3-azidopyrrolidine-1-carboxylate
  参考文献：
  名称：

  [EN] 3-AMINOPYRROLIDINES AS INHIBITORS OF MONOAMINE UPTAKE
  [FR] 3-AMINOPYRROLIDINES UTILISEES COMME INHIBITEURS DE L'APPORT DE MONOAMINE

  摘要：

  本发明提供了式（I）的化合物及其药学上可接受的盐，用于抑制一个或多个生理活性单胺（5-羟色胺、去甲肾上腺素和多巴胺）的摄取。

  公开号：

  WO2005000811A1
• 作为产物：
  描述：

  (S)-1-N-叔丁氧羰基-3-羟基吡咯烷 在 吡啶 、 氨 作用下， 以 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 72.0h， 生成 (R)-1-(叔丁氧基羰基)-3-吡咯烷-甲磺酸酯
  参考文献：
  名称：

  核碱基的外消旋和对映体3-吡咯烷基衍生物的合成

  摘要：

  描述了核碱基的新型3-吡咯烷基衍生物的合成。从苹果酸开始，我们改善了外消旋和光学活性的合成Ñ -苄基-3-羟基吡咯烷-2,5-二酮类，其中转化在四个步骤进入ñ -叔丁氧基羰基-3- mesyloxypyrrolidines，关键合成子为嘌呤和嘧啶核碱基的烷基化。嘌呤和嘧啶与钠盐的铯盐的烷基化ñ -叔丁氧基羰基-3- mesyloxypyrrolidines顺利进行，得到9-取代的嘌呤衍生物和1-取代的嘧啶衍生物的中等产率的高收率。使用（S）-N - tert-丁氧基羰基-3-甲氧基苯并吡咯烷作为合成两个对映体N -Boc-3-吡咯烷基亚基腺嘌呤的相同中间体，并考虑到产品的手性HPLC分析所获得的结果，我们证明了甲磺酰基基团的亲核取代反应是通过转化和不保留配置。测试了制备的化合物的细胞抑制和抗病毒特性，但未发现明显的活性。

  DOI：

  10.1016/j.tet.2006.03.078
• 作为试剂：
  描述：

  3-((3,5-dimethoxyphenyl)ethynyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine 、 (R)-1-(叔丁氧基羰基)-3-吡咯烷-甲磺酸酯 在 (R)-1-(叔丁氧基羰基)-3-吡咯烷-甲磺酸酯 作用下， 生成 (S)-tert-butyl 3-(4-amino-3-((3,5-dimethoxyphenyl)ethynyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)pyrrolidine-1-carboxylate
  参考文献：
  名称：

  3,5-disubstituted alkynylbenzene compound and salt thereof

  摘要：

  本发明提供一种由式（I）表示的化合物（其中R1，X1，X2，Y和Z如规范中所定义），或其盐。

  公开号：

  US09108973B2

文献信息

• [EN] INHIBITORS OF WDR5 PROTEIN-PROTEIN BINDING<br/>[FR] INHIBITEURS DE LA LIAISON PROTÉINE WDR5-PROTÉINE
  申请人：ONTARIO INST FOR CANCER RES (OICR)

  公开号：WO2017147700A1

  公开（公告）日：2017-09-08

  The present application is directed to compounds of Formula I: compounds comprising these compounds and their uses, for example as medicaments for the treatment of diseases, disorders or conditions mediated or treatable by inhibition of binding between WDR5 protein and its binding partners.

  本申请涉及到Formula I的化合物：包括这些化合物的化合物及其用途，例如作为治疗由于抑制WDR5蛋白与其结合伙伴之间结合而介导或可治疗的疾病、疾病或症状的药物。
• PYRROLO[1,2-b]PYRIDAZINE DERIVATIVES
  申请人：Gilead Sciences, Inc.

  公开号：US20180230157A1

  公开（公告）日：2018-08-16

  Provided is a compound of Formula (I) wherein the variable groups are defined herein.

  提供的是化合物的化学式（I），其中变量基团在此处被定义。
• [EN] SUBSTITUTED CYCLIC COMPOUNDS AND METHODS OF USE<br/>[FR] COMPOSÉS CYCLIQUES SUBSTITUÉS ET PROCÉDÉS D'UTILISATION
  申请人：XI NING

  公开号：WO2013138210A1

  公开（公告）日：2013-09-19

  The present invention provides novel substituted cyclic compounds, pharmaceutical acceptable salts and formulations thereof useful in modulating the protein tyrosine kinase activity, and in modulating cellular activities such as proliferation, differentiation, apoptosis, migration and invasion. The invention also provides pharmaceutically acceptable compositions comprising such compounds and methods of using the compositions in the treatment of hyperproliferative disorders in mammals, especially humans.

  本发明提供了新颖的取代环化合物，药用可接受的盐及其制剂，用于调节蛋白酪氨酸激酶活性，并调节细胞活动，如增殖、分化、凋亡、迁移和侵袭。该发明还提供了包括这些化合物的药用可接受的组合物，以及在治疗哺乳动物，特别是人类的增生性疾病中使用这些组合物的方法。
• [EN] HETEROCYCLOALKYL-CONTAINING THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS<br/>[FR] THIÉNOPYRIMIDINES CONTENANT UN GROUPE HÉTÉROCYCLOALKYLE POUR DES COMPOSITIONS PHARMACEUTIQUES
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2011104337A1

  公开（公告）日：2011-09-01

  The present invention relates to novel pharmaceutical compositions comprising thienopyrimidine compounds. Moreover, the present invention relates to the use of the thienopyrimidine compounds of the invention for the production of pharmaceutical compositions for the prophylaxis and/or treatment of diseases which can be influenced by the inhibition of the kinase activity of Mnk1 and/or Mnk2 (Mnk2a or Mnk2b) and/or variants thereof.

  本发明涉及包含噻吩并嘧啶化合物的新颖药物组合物。此外，本发明涉及利用本发明的噻吩并嘧啶化合物生产药物组合物，用于预防和/或治疗可通过抑制Mnk1和/或Mnk2（Mnk2a或Mnk2b）及其变体的激酶活性而影响的疾病。
• 1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid compounds
  申请人：Fujisawa Pharmaceutical Co., Ltd.

  公开号：US05102877A1

  公开（公告）日：1992-04-07

  1-Azabicyclo[3.2.0]hept-2-ene-2-carboxyic acids having antimicrobial activity have been prepared.

  具有抗微生物活性的1-氮杂二环[3.2.0]庚-2-烯-2-羧酸已制备。