3-氨基-1-二苯甲基氮杂环丁烷 | 40432-52-8

• 物质功能分类: 有机原料 - 烃类化合物及其衍生物 - 环烃
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3-氨基-1-二苯甲基氮杂环丁烷
• 中文别名: N-二苯甲基-3-氨基氮杂环丁烷；1-二苯甲基-3-氨基氮杂环丁烷
• 英文名称: 1-benzhydrylazetidin-3-ylamine
• 英文别名: 1-benzhydrylazetidin-3-amine；3-amino-1-benzhydrylazetidine；3-amino-1-diphenylmethylazetidine
• CAS: 40432-52-8
• 化学式: C₁₆H₁₈N₂
• mdl: MFCD03093386
• 分子量: 238.332
• InChiKey: LYTNNHXGUOKXFI-UHFFFAOYSA-N

物化性质

• 熔点：
  63 °C
• 沸点：
  339.2±42.0 °C(Predicted)
• 密度：
  1.125±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  29.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2933990090
• 危险性防范说明：
  P233,P260,P261,P264,P270,P271,P280,P301+P312,P302+P352,P304,P304+P340,P305+P351+P338,P312,P321,P330,P332+P313,P337+P313,P340,P362,P403,P403+P233,P405,P501
• 危险性描述：
  H302,H315,H319,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 3-Amino-1-diphenylmethylazetidine
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: 3-Amino-1-diphenylmethylazetidine
CAS number: 40432-52-8

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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: C16H18N2
Molecular weight: 238.3

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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

化学性质：白色固体

反应信息

• 作为反应物：
  描述：

  3-氨基-1-二苯甲基氮杂环丁烷 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 68.0h， 生成 1-diphenylmethyl-N-ethyl-N-(2-fluoroethyl)azetidin-3-amine
  参考文献：
  名称：

  KRAS G12C抑制剂及其应用

  摘要：

  本发明公开了一种新型的KRAS G12C抑制剂。本发明的如式I所示化合物、其异构体或药学上可接受的盐具有如下结构。本发明公开的如式I所示化合物及其组合物可以有效治疗与KRAS G12C相关的疾病，例如：癌症。

  公开号：

  CN112574224A
• 作为产物：
  描述：

  1-二苯甲基-3-甲烷磺酸氮杂环丁烷 在 sodium azide 、 氯化铵 、 锌 作用下， 以 乙醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 7.0h， 生成 3-氨基-1-二苯甲基氮杂环丁烷
  参考文献：
  名称：

  新型氮杂环丁烷衍生物作为多巴胺拮抗剂的合成及生物学评价

  摘要：

  在这项研究中，评估了氮杂环丁烷衍生物作为多巴胺能拮抗剂的功效。该研究包括在3位上被酰胺部分取代的衍生物。此外，酰胺的苯基部分在2、3或4位被修饰。对取代的化合物对D 2和D 4受体的亲和力进行生物学评估。这些化合物中最有效的D 2和D 4拮抗剂似乎是N-（1-苯甲酰基-氮杂环丁烷-3yl）-2-溴-苯甲酰胺和N-（1-苯甲酰基-氮杂环丁烷-3yl）-4-溴-苯甲酰胺。CPPMA与D 4受体的各种对接相互作用和化合物5的相同，即N发现-（1-苯甲酰基-氮杂环丁烷-3yl）-4-溴-苯甲酰胺与观察到的生物活性具有良好的相关性。

  DOI：

  10.1007/s00044-013-0579-3

文献信息

• [EN] NOVEL HETEROCYCLIC ACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS<br/>[FR] NOUVEAUX ACRYLAMIDES HÉTÉROCYCLIQUES ET LEUR UTILISATION EN TANT QUE PRODUITS PHARMACEUTIQUES
  申请人：FAB PHARMA SAS

  公开号：WO2011061214A1

  公开（公告）日：2011-05-26

  The invention relates to novel heterocyclic acrylamide compounds (I), to the preparation of the compounds and intermediates used therein, to the use of the compounds as antibacterial medicaments and pharmaceutical compositions containing the compounds.

  这项发明涉及新颖的杂环丙烯酰胺化合物（I），涉及该化合物及其中间体的制备，涉及将该化合物用作抗菌药物以及含有该化合物的药物组合物的用途。
• Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses
  申请人：SANKYO COMPANY, LIMITED

  公开号：US20040054173A1

  公开（公告）日：2004-03-18

  Compounds having activity against production of an inflammatory cytokine of formula (I)′: 1 A′ is pyrrole; R 1′ is phenyl or naphthyl; R 2′ is pyridyl or pyrimidinyl; R 3′ is (IIa)′, (IIb)′ or (IIc)′: 2 m′ is 1; E′ is nitrogen; D′ is >C(R 5′ )—, R 5′ is hydrogen, Substituent &agr;′ or Substituent &bgr;′; B′ is nitrogen-containing 5-membered heterocyclic; R 4′ is 1 to 3 substituents from Substituent &agr;′, Substituent &bgr;′ and Substituent &ggr;′; R 1′ and R 3′ are bonded to two atoms of the pyrrole adjacent to the pyrrole atom bonded to R 2′ ; Substituent &agr;′ is hydroxyl, nitro, cyano, halogen, alkoxy, halogeno alkoxy, alkylthio, halogeno alkylthio or —NR a′ R b′ ; R a′ and R b′ are hydrogen, alkyl, alkenyl, alkynyl, aralkyl or alkylsulfonyl, or R a′ and R b′ with the nitrogen atom form a heterocyclyl; Substituent &bgr;′ is alkyl, alkenyl, alkynyl, aralkyl or cycloalkyl; Substituent &ggr;′ is oxo, hydroxyimino, alkoxyimino, alkylene, alkylenedioxy, alkylsulfinyl, alkylsulfonyl, aryl, aryloxy, alkylidenyl or aralkylidenyl.

  具有对抗公式(I)′炎症细胞因子生成活性的化合物： 1 A′是吡咯；R 1′ 是苯基或萘基；R 2′ 是吡啶基或嘧啶基；R 3′ 是(IIa)′，(IIb)′或(IIc)′： 2 m′是1；E′是氮；D′是>C(R 5′ )—, R 5′ 是氢，取代基α′或取代基β′；B′是含氮的5-成员杂环；R 4′ 是来自取代基α′，取代基β′和取代基γ′的1至3个取代基；R 1′ 和R 3′ 分别与吡咯环上与R 2′ 相连的吡咯原子的两个相邻原子成键；取代基α′是羟基，硝基，氰基，卤素，烷氧基，卤代烷氧基，烷基亚砜，卤代烷基亚砜或—NR a′ R b′ ；R a′ 和R b′ 是氢，烷基，烯基，炔基，芳烷基或烷基亚磺酰基，或者R a′ 和R b′ 与氮原子形成杂环；取代基β′是烷基，烯基，炔基，芳烷基或环烷基；取代基γ′是氧代，羟基亚胺，烷氧基亚胺，亚烷基，亚烷基二氧，烷基亚磺酰基，烷基亚磺酰基，芳基，芳氧基，亚烷基或芳亚烷基。
• Pharmaceutical compositions containing 3-aminoazetidine derivatives, novel derivatives and their preparation
  申请人：——

  公开号：US20020019383A1

  公开（公告）日：2002-02-14

  The present invention relates to pharmaceutical compositions containing, as active ingredient, a compound of formula: 1 in which R 1 represents a radical —NHCOR 4 or —N(R 5 )—Y—R 6 , Y is CO or SO 2 , R 4 represents a radical -alk-SO 2 —R 11 , -alk-SO 2 —CH═CH—R 11 or Het substituted with —SO 2 —R 11 or a phenyl radical substituted with —SO 2 —R 11 or -alk-SO 2 —R 11 , R 5 represents a hydrogen atom or an alkyl radical, R6 represents a phenylalkyl, Het or Ar radical, to the novel derivatives of formula (I) and to their preparation.

  本发明涉及包含作为活性成分的公式1化合物的药物组合物：其中R1代表—NHCOR4或—N(R5)—Y—R6，Y是CO或SO2，R4代表—alk-SO2—R11，-alk-SO2—CH═CH—R11或Het，或用—SO2—R11或—SO2—R11或-alk-SO2—R11取代的苯基自由基，R5代表氢原子或烷基自由基，R6代表苯基烷基，Het或Ar自由基，以及新颖的公式(I)衍生物及其制备方法。
• [EN] GUANIDINO-SUBSTITUTED QUINAZOLINONE COMPOUNDS AS MC4-R AGONISTS<br/>[FR] COMPOSES DE QUINAZOLINE SUBSTITUES PAR GUANIDINO CONSTITUANT DES AGONISTES DE MC4-R
  申请人：CHIRON CORP

  公开号：WO2004112793A1

  公开（公告）日：2004-12-29

  A variety of small molecule, guanidine-containing molecules capable of acting as MC4-R agonists are provided. The compounds are useful in treating MC4-R mediated diseases when administered to subjects. The compounds have the structure IA, IB, and IC where the values of the variables are defined herein.

  提供了一系列含有胍基的小分子化合物，能够作为MC4-R激动剂。当这些化合物被给予受试者时，它们对治疗MC4-R介导的疾病是有用的。这些化合物具有结构IA、IB和IC，其中变量的值在此定义。
• [EN] PYRAZOLO[3,4-D]PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE2 INHIBITORS AND/OR CYP3A4 INHIBITORS<br/>[FR] COMPOSÉS PYRAZOLO[3,4-D]PYRIMIDINE ET LEUR UTILISATION COMME INHIBITEURS DE LA PDE2 ET/OU INHIBITEURS DU CYP3A4
  申请人：PFIZER

  公开号：WO2012168817A1

  公开（公告）日：2012-12-13

  The present invention provides, inter alia, compounds of Formula (I) and pharmaceutically acceptable salts thereof, to processes for the preparation of, intermediates used in the preparation of, and compositions containing such compounds and the uses of such compounds as a method for the treatment of a disease or condition selected from the group consisting of central nervous system disorders, cognitive disorders, schizophrenia, dementia and other disorders in a mammal. The present invention further provides compounds of Formula (Id) and pharmaceutically acceptable salts thereof as CYP3A4 selective inhibitors.

  本发明提供了式(I)的化合物及其可药用的盐，以及用于制备这些化合物的过程、在制备中使用的中间体、含有这些化合物的组合物，以及将这些化合物用于治疗哺乳动物的中枢神经系统疾病、认知障碍、精神分裂症、痴呆症和其他疾病的用途。本发明还提供了式(Id)的化合物及其可药用的盐，作为CYP3A4的选择性抑制剂。