3-氧杂环丁胺 | 21635-88-1

• 物质功能分类: 有机原料 - 氨基化合物 - 含氧基氨基化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧杂环丁烷
• 中文名称: 3-氧杂环丁胺
• 中文别名: 3-氨基氧杂环丁烷
• 英文名称: 3-oxetanamine
• 英文别名: oxetan-3-amine；3-aminooxetane；oxetane-3-amine；3-oxetaneamine；oxetan-3-ylamine；N-(oxetan-3-yl)amine；3-oxetamine
• CAS: 21635-88-1
• 化学式: C₃H₇NO
• mdl: MFCD08544363
• 分子量: 73.0947
• InChiKey: OJEOJUQOECNDND-UHFFFAOYSA-N

物化性质

• 沸点：
  99℃
• 密度：
  1.042 g/mL at 25 °C
• 闪点：
  54 °C

计算性质

• 辛醇/水分配系数(LogP)：
  -1
• 重原子数：
  5
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  35.2
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 危险等级：
  3
• 危险品标志：
  Xn
• 安全说明：
  S26,S39
• 危险类别码：
  R10,R22,R41
• WGK Germany：
  3
• 海关编码：
  2932999099
• 包装等级：
  III
• 危险类别：
  3,6.1
• 危险性防范说明：
  P210,P280,P301+P310+P330,P305+P351+P338+P310
• 危险品运输编号：
  1992
• 危险性描述：
  H226,H301,H318

SDS

Material Safety Data Sheet

---

Section 1. Identification of the substance
Product Name: 3-Oxetanamine
Synonyms:

---

Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H226: Flammable liquid and vapour
H315: Causes skin irritation
H319: Causes serious eye irritation
May cause respiratory irritation
H335:
P210: Keep away from heat/sparks/open flames/hot surfaces. No smoking
P261: Avoid breathing dust/fume/gas/mist/vapours/spray
P303+P361+P353: IF ON SKIN (or hair): Remove/Take off immediately all contaminated clothing. Rinse skin with
water/shower
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing
P405: Store locked up

---

Section 3. Composition/information on ingredients.
Ingredient name: 3-Oxetanamine
CAS number: 21635-88-1

---

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, refrigerated.
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
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C3H7NO
Molecular weight: 73.1

---

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
UN Number: UN1993 Class: 3 Packing group: III
Proper shipping name: FLAMMABLE LIQUIDS, N.O.S. (3-Oxetanamine)

---

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

应用

3-氧杂环丁胺是一种医药中间体，有文献报道其可用于制备β-内酰胺酶抑制剂、磷脂酰肌醇-5-磷酸-4-激酶（PI5P4K）的抑制剂以及磷脂酰肌醇3-激酶δ（PI3Kδ）和磷脂酰肌醇3-激酶γ（PI3Kγ）的抑制剂。

反应信息

• 作为反应物：
  描述：

  3-氧杂环丁胺 在 磺酰胺 作用下， 以 水 为溶剂， 反应 32.0h， 生成 3-(sulfamoylamino)oxetane
  参考文献：
  名称：

  [EN] NOVEL SULFAMIDE PIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF
  [FR] NOUVEAUX DÉRIVÉS DE SULFAMIDE PIPÉRAZINE À TITRE D'INHIBITEURS DE PROTÉINES TYROSINE KINASES ET LEUR UTILISATION PHARMACEUTIQUE

  摘要：

  该发明涉及一般式(I)的化合物，其中R1、R2、R3、R4、R5、m、n在此处定义，并且其药用可接受的盐、前药、水合物或溶剂化合物，用于单独或与一个或多个其他药用活性化合物结合在一起，在治疗中使用，作为JAK激酶和蛋白酪氨酸激酶抑制剂，用于预防、治疗或改善疾病及其并发症，包括例如牛皮癣、特应性皮炎、酒渣鼻、狼疮、多发性硬化症、类风湿关节炎、I型糖尿病、哮喘、癌症、自身免疫性甲状腺疾病、溃疡性结肠炎、克罗恩病、阿尔茨海默病、白血病、眼部疾病如糖尿病视网膜病变和黄斑变性以及其他自身免疫性疾病和免疫抑制希望的适应症，例如在器官移植中。

  公开号：

  WO2012093169A1
• 作为产物：
  描述：

  3-azidooxetane 生成 3-氧杂环丁胺
  参考文献：
  名称：

  Synthesis of electron-deficient oxetanes. 3-Azidooxetane, 3-nitrooxetane, and 3,3-dinitrooxetane

  摘要：

  DOI：

  10.1021/jo00166a003

文献信息

• SUBSTITUTED 4-PYRIDONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY
  申请人：OOST Thorsten

  公开号：US20140057916A1

  公开（公告）日：2014-02-27

  This invention relates to substituted 4-pyridones of formula 1 and their use as inhibitors of neutrophil elastase activity, pharmaceutical compositions containing the same, and methods of using the same as agents for treatment and/or prevention of pulmonary, gastrointestinal and genitourinary diseases, inflammatory diseases of the skin and the eye and other auto-immune and allergic disorders, allograft rejection, and oncological diseases.

  这项发明涉及式1的取代4-吡啶酮及其作为中性粒细胞弹性蛋白酶活性抑制剂的用途，包含这些化合物的药物组合物，以及将其用作治疗和/或预防肺部、胃肠道和泌尿系统疾病、皮肤和眼睛的炎症性疾病以及其他自身免疫和过敏性疾病、移植物排斥反应和肿瘤性疾病的药剂的方法。
• SUBSTITUTED PYRROLOPYRIMIDINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH
  申请人：Signal Pharmaceutical LLC

  公开号：US20140200206A1

  公开（公告）日：2014-07-17

  Provided herein are Pyrrolopyrimidine Compounds having the following structure: wherein R 1 , R 2 , R 3 , and L are as defined herein, compositions comprising an effective amount of a Pyrrolopyrimidine Compound, and methods for treating or preventing breast cancer, more particularly triple negative breast cancer, comprising administering an effective amount of such Pyrrolopyrimidine Compounds to a subject in need thereof.

  本文提供具有以下结构的吡咯吡嘧啶化合物： 其中R1、R2、R3和L如本文所定义，包含有效量吡咯吡嘧啶化合物的组合物，以及治疗或预防乳腺癌，更具体地是三阴性乳腺癌的方法，包括向需要的受试者施用有效量的这种吡咯吡嘧啶化合物。
• [EN] COMPOUNDS AND THERAPEUTIC USES THEREOF<br/>[FR] COMPOSÉS ET LEURS UTILISATIONS THÉRAPEUTIQUES
  申请人：VIOGEN BIOSCIENCES LLC

  公开号：WO2020243457A1

  公开（公告）日：2020-12-03

  The invention relates to compounds, pharmaceutical compositions and methods useful for treating cancer, systemic or chronic inflammation, rheumatoid arthritis, diabetes, obesity, T-cell mediated autoimmune disease, diseases associated with over production of IL12/IL23, lysosomal storage disorders, filovirus infections, ischemia, neurodegenerative diseases including Alzheimer's disease, amyotrophic lateral sclerosis, and frontotemporal dementia, viral infection including SARS-CoV-2, and other complications associated with the foregoing diseases and disorders.

  这项发明涉及化合物、药物组合物和方法，用于治疗癌症、全身性或慢性炎症、类风湿关节炎、糖尿病、肥胖症、T细胞介导的自身免疫疾病、与IL12/IL23过度产生相关的疾病、溶酶体贮积疾病、丝状病毒感染、缺血、包括阿尔茨海默病、肌萎缩侧索硬化和额颞叶痴呆症在内的神经退行性疾病、包括SARS-CoV-2的病毒感染，以及与上述疾病和疾病相关并发症。
• [EN] COMPOUNDS USEFUL FOR TREATING NEURODEGENERATIVE DISORDERS<br/>[FR] COMPOSÉS UTILES POUR LE TRAITEMENT DE TROUBLES NEURODÉGÉNÉRATIFS
  申请人：SATORI PHARMACEUTICALS INC

  公开号：WO2011109657A1

  公开（公告）日：2011-09-09

  As described herein, the present invention provides compounds useful for treating or lessening the severity of a neurodegenerative disorder. The present invention also provides methods of treating or lessening the severity of such disorders wherein said method comprises administering to a patient a compound of the present invention, or composition thereof. Said method is useful for treating or lessening the severity of, for example, Alzheimer's disease.

  如本文所述，本发明提供了用于治疗或减轻神经退行性疾病严重程度的化合物。本发明还提供了治疗或减轻此类疾病严重程度的方法，其中所述方法包括向患者施用本发明的化合物或其组合物。该方法适用于治疗或减轻例如阿尔茨海默病等疾病的严重程度。
• [EN] INHIBITORS OF BRUTON'S TYROSINE KINASE<br/>[FR] INHIBITEURS DE LA TYROSINE KINASE DE BRUTON
  申请人：HOFFMANN LA ROCHE

  公开号：WO2013024078A1

  公开（公告）日：2013-02-21

  This application discloses compounds according to generic Formula I: wherein the variables are defined as described herein, and which inhibit Btk. The compounds disclosed herein are useful to modulate the activity of Btk and treat diseases associated with excessive Btk activity. The compounds are further useful to treat inflammatory and auto immune diseases associated with aberrant B-cell proliferation, such as rheumatoid arthritis. Also disclosed are compositions containing compounds of Formula I and at least one carrier, diluent or excipient.

  该应用程序根据通用公式I披露化合物：其中变量如本文所述，并且抑制Btk。本文披露的化合物对调节Btk的活性并治疗与过度Btk活性相关的疾病有用。这些化合物进一步用于治疗与异常B细胞增殖相关的炎症和自身免疫疾病，如类风湿性关节炎。还披露了含有公式I化合物和至少一种载体、稀释剂或赋形剂的组合物。