1-(叔丁氧基羰基)-3-甲氧基甲基氮杂丁烷 | 942308-05-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂环丁烷
• 中文名称: 1-(叔丁氧基羰基)-3-甲氧基甲基氮杂丁烷
• 英文名称: 3-methoxymethyl-azetidine-1-carboxylic acid tert-butyl ester
• 英文别名: 1-(tert-butoxycarbonyl)-3-methoxymethylazetidine；tert-Butyl 3-(methoxymethyl)azetidine-1-carboxylate
• CAS: 942308-05-6
• 化学式: C₁₀H₁₉NO₃
• 分子量: 201.266
• InChiKey: KVZWHTCHJHENKO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  14
• 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：
  38.8
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2933990090

SDS

Material Safety Data Sheet

---

Section 1. Identification of the substance
Product Name: tert-Butyl 3-(methoxymethyl)azetidine-1-carboxylate
Synonyms:

---

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

---

Section 3. Composition/information on ingredients.
Ingredient name: tert-Butyl 3-(methoxymethyl)azetidine-1-carboxylate
CAS number: 942308-05-6

---

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
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C10H19NO3
Molecular weight: 201.3

---

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

反应信息

• 作为反应物：
  描述：

  1-(叔丁氧基羰基)-3-甲氧基甲基氮杂丁烷 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 反应 72.0h， 生成 1-苄基氮杂环丁烷-3-酮
  参考文献：
  名称：

  VLA-4 INHIBITORY DRUG

  摘要：

  公开号：

  EP1961750B1
• 作为产物：
  描述：

  1-N-Boc-3-吖丁啶羧酸 在 三氟二甲基硫醚络合物 、 sodium hydride 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 15.0h， 生成 1-(叔丁氧基羰基)-3-甲氧基甲基氮杂丁烷
  参考文献：
  名称：

  VLA-4 INHIBITORY DRUG

  摘要：

  公开号：

  EP1961750B1

文献信息

• [EN] 6,7,8,9-TETRAHYDRO-5H-1,4,7,10A-TETRAAZA-CYCLOHEPT[F]INDENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESSES FOR PREPARING THEM<br/>[FR] DÉRIVÉS DE 6,7,8,9-TÉTRAHYDRO-5H-1,4,7,10A-TÉTRAAZA-CYCLOHEPT[F]INDÈNE, COMPOSITIONS PHARMACEUTIQUES CONTENANT CES COMPOSÉS, LEUR UTILISATION ET PROCÉDÉS POUR PRÉPARER CEUX-CI
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2010060952A1

  公开（公告）日：2010-06-03

  The present invention relates to compounds defined by formula (I), wherein the groups X, Y, W and R1 to R4 are defined as in claim 1, possessing valuable pharmacological activity. Particularly the compounds are agonists of the 5-HT2C receptor, and thus are suitable for treatment and prevention of diseases which can be influenced by inhibition of this receptor, such as metabolic and CNS-related disorders.

  本发明涉及由式（I）定义的化合物，其中基团X、Y、W和R1至R4如权利要求1中所定义，具有有价值的药理活性。特别是这些化合物是5-HT2C受体的激动剂，因此适用于治疗和预防可以受到该受体抑制影响的疾病，如代谢和中枢神经系统相关疾病。
• CYCLIC PEPTIDE COMPOUNDS
  申请人：Yamanaka Toshio

  公开号：US20100120672A1

  公开（公告）日：2010-05-13

  The present invention relates to a new cyclic peptide compound or a salt thereof, which has anti-hepatitis C virus activities based on inhibitory activity against the RNA replication of hepatitis C virus replicon, a process for preparation thereof, a pharmaceutical composition comprising the same, and a method for prophylactic and/or therapeutic treatment of hepatitis C in a human being or an animal.

  本发明涉及一种新的环肽化合物或其盐，其基于对丙型肝炎病毒复制体RNA复制的抑制活性具有抗丙型肝炎病毒活性，以及其制备方法，包含该化合物的制药组合物，以及用于预防和/或治疗人类或动物丙型肝炎的方法。
• 6,7,8,9-Tetrahydro-5H-1,4,7,10a-tetraaza-cyclohept[f]indene derivatives, pharmaceutical compositions containing these compounds, their use and processes for preparing them
  申请人：Mueller Stephan-Georg

  公开号：US20120165304A1

  公开（公告）日：2012-06-28

  The present invention relates to compounds defined by formula (I), wherein the groups X, Y, W and R 1 to R 4 are defined as in claim 1 , possessing valuable pharmacological activity. Particularly the compounds are agonists of the 5-HT2C receptor, and thus are suitable for treatment and prevention of diseases which can be influenced by inhibition of this receptor, such as metabolic and CNS-related disorders.

  本发明涉及由式(I)定义的化合物，其中X、Y、W和R1至R4基团如权利要求1中所定义，具有有价值的药理活性。特别地，这些化合物是5-HT2C受体激动剂，因此适用于治疗和预防可以受到该受体抑制影响的疾病，例如代谢和中枢神经系统相关疾病。
• VLA-4 inhibitory drug
  申请人：Machinaga Nobuo

  公开号：US20130065882A1

  公开（公告）日：2013-03-14

  This invention relates to a VLA-4 inhibitory drug, having good oral absorbability and exhibiting sufficient anti-inflammatory effects when administered orally, wherein an active ingredient is represented by formula (I), or a salt thereof: Q represents an optionally-substituted monocyclic or bicyclic nitrogen-containing heterocyclic group having a nitrogen atom as the bonding site; Y represents an oxygen atom or CH 2 ; W represents an optionally-substituted bicyclic aromatic hydrocarbon ring group or an optionally-substituted bicyclic aromatic heterocyclic group; A 1 represents a nitrogen atom or C—R 3d wherein R 3d represents a hydrogen atom, a halogen atom, a C1-8 alkoxy group or a C1-8 alkyl group; R 1 represents H or a C1-8 alkyl group; R 2 represents H, a halogen, a C1-8 alkoxy

  本发明涉及一种VLA-4抑制剂药物，具有良好的口服吸收性，并在口服给药时展现足够的抗炎效果，其中活性成分由公式（I）或其盐表示： Q代表一个可选取代的含氮杂环基团，其为单环或双环结构，其中氮原子为键合位点； Y代表一个氧原子或CH2； W代表一个可选取代的双环芳香烃环基团或可选取代的双环芳香杂环基团； A1代表一个氮原子或C-R3d，其中R3d代表氢原子、卤素原子、C1-8烷氧基团或C1-8烷基团； R1代表氢原子或C1-8烷基团； R2代表氢原子、卤素原子、C1-8烷氧基团或C1-8烷基团。
• Cyclic peptide compounds
  申请人：Yamanaka Toshio

  公开号：US08603975B2

  公开（公告）日：2013-12-10

  The present invention relates to a new cyclic peptide compound or a salt thereof, which has anti-hepatitis C virus activities based on inhibitory activity against the RNA replication of hepatitis C virus replicon, a process for preparation thereof, a pharmaceutical composition comprising the same, and a method for prophylactic and/or therapeutic treatment of hepatitis C in a human being or an animal.

  本发明涉及一种新的环肽化合物或其盐，其基于对丙型肝炎病毒复制体RNA复制抑制活性具有抗丙型肝炎病毒活性，以及其制备过程，包括该化合物的制药组合物和用于人类或动物的预防和/或治疗丙型肝炎的方法。