(R)-1-Boc-3-羟甲基吡咯烷 | 138108-72-2

• 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-Boc-3-羟甲基吡咯烷
• 中文别名: (R)-N-BOC-3-羟甲基吡咯烷；(R)-1-叔丁氧羰基-3-羟甲基吡咯烷；(R)-1-BOC-3-羟甲基吡咯烷；(3R)-3-(羟基甲基)吡咯烷-1-羧酸叔丁酯；(R)-1-BOC-3-吡咯烷甲醇；(R)-1-N-叔丁氧羰基-3-吡咯烷甲醇；(R)-3-羟基甲基吡咯烷-1-羧酸；(R)-3-羟甲基吡咯烷-1-甲酸叔丁酯；(R)-叔丁基3-(羟甲基)吡咯烷-1-羧酸酯；N-BOC-D-BETA-脯氨醇；R-1-BOC-3羟甲基吡略烷；R-BOC-3-羟甲基吡咯烷；(R)-3-(羟甲基)吡咯烷-1-羧酸叔丁酯
• 英文名称: tert-butyl (R)-3-hydroxymethylpyrrolidine-1-carboxylate
• 英文别名: tert-butyl (3R)-3-(hydroxymethyl)pyrrolidine-1-carboxylate；(R)-tert-butyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate；(R)-3-hydroxymethylpyrrolidine-1-carboxylic acid tert-butyl ester；(R)-1-Boc-(3-hydroxymethyl)pyrrolidine；(3R)-N-tert-butyloxycarbonyl-3-hydroxymethylpyrrolidine
• CAS: 138108-72-2
• 化学式: C₁₀H₁₉NO₃
• 分子量: 201.266
• InChiKey: HKIGXXRMJFUUKV-MRVPVSSYSA-N

物化性质

• 沸点：
  289.5±13.0 °C(Predicted)
• 密度：
  1.089
• 溶解度：
  可溶于氯仿（少许）、DMSO（少许）、甲醇（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  49.8
• 氢给体数：
  1
• 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：
  H315,H319,H335
• 储存条件：
  2-8°C

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
(R)-3-Hydroxymethyl-pyrrolidine-1-carboxylic acid tert-butyl ester
Product Name:
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H315: Causes skin irritation
H319: Causes serious eye irritation
H335: May cause respiratory irritation
P261: Avoid breathing dust/fume/gas/mist/vapours/spray
Wear protective gloves/protective clothing/eye protection/face protection
P280:
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing
P304+P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing
P405: Store locked up

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Section 3. Composition/information on ingredients.
(R)-3-Hydroxymethyl-pyrrolidine-1-carboxylic acid tert-butyl ester
Ingredient name:
CAS number: 138108-72-2

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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.
Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.
Ingestion:

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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, refrigerated.

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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: C10H19NO3
Molecular weight: 201.3

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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
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

制备方法与用途

应用 (R)-1-BOC-3-羟甲基吡咯烷作为基质的导电高分子水凝胶是理想的心肌组织修复材料之一。

制备过程如下：在0°C下，向（R）-1-（叔丁氧基羰基）吡咯烷-3-羧酸（1.21 g，5.6 mmol）溶解于THF（30 mL）中的搅拌溶液中滴加硼烷THF（1.0 M，17 mL，16.9 mmol）。将所得混合物在30分钟内加热至室温，并在45℃下继续加热1小时，随后在55℃下加热90分钟。冷却反应混合物至0°C后，小心用3N HCl（30 mL）淬灭。在室温下搅拌20分钟后，使用Et2O（50 mL）萃取产物。有机层先后用饱和NaHCO3（20 mL）和盐水（20 mL）洗涤，再用Na2SO4干燥，过滤并减压浓缩后，得到 (R)-1-BOC-3-羟甲基吡咯烷（1.1 g，收率91%），呈无色油状。

反应信息

• 作为反应物：
  描述：

  (R)-1-Boc-3-羟甲基吡咯烷 在 甲醇 、 三乙胺 、 sodium hydroxide 作用下， 以 二氯甲烷 、 二甲基亚砜 为溶剂， 生成 (R)-N-Boc-3-四氢吡咯乙酸
  参考文献：
  名称：

  [EN] FUMAGILLOL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME
  [FR] COMPOSÉS HÉTÉROCYCLIQUES FUMAGILLOL, ET PROCÉDÉS CORRESPONDANTS DE FABRICATION ET D'UTILISATION

  摘要：

  本文披露了富马吉醇化合物及其在治疗医学疾病（如肥胖症）中的用途方法。提供了富马吉醇化合物的药物组合物和制备方法。这些化合物被认为具有对蛋氨酸氨肽酶2的活性。

  公开号：

  WO2017027684A1
• 作为产物：
  描述：

  1-叔丁氧羰基-2,3-二氢吡咯 在 acetylacetonatodicarbonylrhodium(l) 、 硼烷四氢呋喃络合物 、 氢气 、 (R,S)-binaphos 作用下， 以 四氢呋喃 、 苯 为溶剂， 60.0 ℃ 、10.13 MPa 条件下， 反应 74.0h，