8-氨基-1,4-二氧杂螺[4,5]癸烷 | 97096-16-7

• 物质功能分类: 医药中间体 - 杂环化合物
• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 8-氨基-1,4-二氧杂螺[4,5]癸烷
• 中文别名: 1,4-二噁螺[4.5]-8-癸胺；1,4-二氧杂-螺[4.5]癸-8-基胺
• 英文名称: 1,4-dioxaspiro[4.5]decan-8-amine
• 英文别名: 1,4-dioxa-spiro[4.5]dec-8-ylamine
• CAS: 97096-16-7
• 化学式: C₈H₁₅NO₂
• mdl: MFCD04114556
• 分子量: 157.213
• InChiKey: KDAFVGCPLFJMHY-UHFFFAOYSA-N

物化性质

• 沸点：
  115 °C(Press: 15 Torr)
• 密度：
  1.11±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  44.5
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xn
• 安全说明：
  S26,S39
• 危险类别码：
  R22,R37/38,R41
• 海关编码：
  2932999099
• 储存条件：
  室温且干燥环境下使用。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 1,4-Dioxa-spiro[4.5]dec-8-ylamine
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H302: Harmful if swallowed
H315: Causes skin irritation
H318: Causes serious eye damage
H335: May cause respiratory irritation
P261: Avoid breathing dust/fume/gas/mist/vapours/spray
P280: Wear protective gloves/protective clothing/eye protection/face protection
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing

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Section 3. Composition/information on ingredients.
Ingredient name: 1,4-Dioxa-spiro[4.5]dec-8-ylamine
CAS number: 97096-16-7

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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.
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: C8H15NO2
Molecular weight: 157.2

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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

8-氨基-1,4-二氧杂螺[4,5]癸烷是一种有机合成中间体和医药中间体，可应用于实验室研发及化工生产的各个阶段。

反应信息

• 作为反应物：
  描述：

  8-氨基-1,4-二氧杂螺[4,5]癸烷 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 N,N-二异丙基乙胺 作用下， 以 乙腈 为溶剂， 反应 6.0h， 生成 2-(1,4-Dioxaspiro[4.5]decan-8-yl)-3a,4,4a,5,6,7,8,8a-octahydroimidazo[1,5-a]indole-1,3-dione
  参考文献：
  名称：

  并行合成世界中的古老故事：海因肽文库的一种使用方法

  摘要：

  开发了一种通过原位生成的2,2,2-三氟乙基氨基甲酸酯与α-氨基酯反应平行合成乙内酰脲文库的方法。为了证明该方法的实用性，准备了根据铅样标准（MW 200–350，cLogP 1-3）设计的1158个乙内酰脲文库。分析了该方法的成功率与产品理化参数的关系，发现该方法可以被认为是用于铅导向合成的工具。通过合理设计，使用开发的方法进行平行合成，计算机模拟和体外筛选相结合的方法，发现了一种含乙内酰脲的超微摩尔主要分子，可作为Aurora激酶A抑制剂。

  DOI：

  10.1021/acscombsci.7b00163
• 作为产物：
  描述：

  4-羟基环己酮乙二醇缩醛 在 十二羰基三钌 、 氨 、 2-(二环己基膦酰基)-1-苯基-1H-吡咯 作用下， 以 2-甲基-2-丁醇 为溶剂， 反应 20.0h， 以92%的产率得到8-氨基-1,4-二氧杂螺[4,5]癸烷
  参考文献：
  名称：

  钌催化仲醇与氨的氨催化高效合成伯胺

  摘要：

  原子效率和选择性是仲醇与氨进行首次均相催化胺化以生成相应的伯胺的关键特征（请参见方案）。这种新颖的胺化方法依赖于可商购的催化剂[Ru 3（CO）12 ] / cataCXium PCy，并且不需要任何额外的氢源。

  DOI：

  10.1002/anie.201002576
• 作为试剂：
  描述：

  4-bromo-2-(3,3-dimethylbut-1-ynyl)thiophene 、 8-氨基-1,4-二氧杂螺[4,5]癸烷 在 8-氨基-1,4-二氧杂螺[4,5]癸烷 作用下， 生成 N-(5-(3,3-dimethylbut-1-ynyl)thiophen-3-yl)-1,4-dioxaspiro[4.5]decan-8-amine
  参考文献：
  名称：

  [EN] SYNTHESIS OF AN ANTIVIRAL COMPOUND
  [FR] SYNTHÈSE D'UN COMPOSÉ ANTIVIRAL

  摘要：

  本公开提供了一种制备式I化合物的方法，该化合物可用作抗病毒剂。该公开还提供了化合物，这些化合物是式I化合物的合成中间体。

  公开号：

  WO2014028341A1

文献信息

• Chemoselective reductive alkylation of ammonia with carbonyl compounds: synthesis of primary and symmetrical secondary amines
  作者：Bruhaspathy Miriyala、Sukanta Bhattacharyya、John S Williamson

  DOI：10.1016/j.tet.2003.12.024

  日期：2004.2

  efficient, general procedure for highly chemoselective reductive mono-alkylation of ammonia with ketones is reported. Treatment of ketones with ammonia in ethanol and titanium(IV) isopropoxide, followed by in situ sodium borohydride reduction, and a straightforward workup afforded primary amines in good to excellent yields. Reductive alkylation of ammonia with aldehydes, on the other hand, afforded the corresponding

  报道了一种高效的通用方法，用于用酮对氨进行高度化学选择性的还原性单烷基化。用乙醇和异丙醇钛（IV）中的氨处理酮，然后原位还原硼氢化钠，并直接进行后处理，得到的伯胺的收率好至极佳。另一方面，氨与醛的还原烷基化选择性地提供了相应的对称仲胺。
• Synthesis and Evaluation of (Piperidinomethylene)bis(phosphonic acid) Derivatives as Anti-osteoporosis Agents.
  作者：Mitsuo MIMURA、Mitsuo HAYASHIDA、Kiyoshi NOMIYAMA、Satoru IKEGAMI、Yasuhito IIDA、Makoto TAMURA、Yoshiyuki HIYAMA、Yoshitaka OHISHI

  DOI：10.1248/cpb.41.1971

  日期：——

  Some (piperidinomethylene)bis(phosphonic acid) derivatives were prepared and their activity to inhibit a rise in serum calcium induced by parathyroid hormone in thyroparathyroidectomised rats was evaluated. Several (4-alkylidene-, 4,4-dialkyl-, or 4-alkyl-4-halopiperidinomethylene)bis(phosphonic acid) derivatives showed considerable inhibitory activity. But compounds having aromatic and polar substituents

  制备了一些（哌啶子基亚甲基）双（膦酸）衍生物，并评估了它们抑制甲状旁腺切除的大鼠的甲状旁腺激素诱导的血清钙升高的活性。几种（4-亚烷基-，4,4-二烷基-或4-烷基-4-卤代哌啶亚基）双（膦酸）衍生物表现出相当大的抑制活性。但是在哌啶环上具有芳族和极性取代基如叠氮基，羟基，氨基和酰胺基的化合物通常是无活性的。在这项研究中，两种4-亚烷基化合物（8a和8b）和4,4-环二烷基化合物（61）在静脉内或经口给药时均显示出强大的活性。
• Solid dispersions containing an apoptosis-inducing agent
  申请人：AbbVie Inc.

  公开号：US10213433B2

  公开（公告）日：2019-02-26

  A pro-apoptotic solid dispersion comprises, in essentially non-crystalline form, a Bcl-2 family protein inhibitory compound of Formula I as defined herein, dispersed in a solid matrix that comprises (a) a pharmaceutically acceptable water-soluble polymeric carrier and (b) a pharmaceutically acceptable surfactant. A process for preparing such a solid dispersion comprises dissolving the compound, the polymeric carrier and the surfactant in a suitable solvent, and removing the solvent to provide a solid matrix comprising the polymeric carrier and the surfactant and having the compound dispersed in essentially non-crystalline form therein. The solid dispersion is suitable for oral administration to a subject in need thereof for treatment of a disease characterized by overexpression of one or more anti-apoptotic Bcl-2 family proteins, for example cancer.

  一种促凋亡的固体分散体包括本文所定义的具有本文所述的化学式I的Bcl-2家族蛋白抑制化合物，以基本非晶态形式分散在包括（a）药学上可接受的水溶性聚合物载体和（b）药学上可接受的表面活性剂的固体基质中。制备这种固体分散体的方法包括在合适的溶剂中溶解化合物、聚合物载体和表面活性剂，并去除溶剂以提供包括聚合物载体和表面活性剂并在其中以基本非晶态形式分散有化合物的固体基质。这种固体分散体适用于口服给予需要治疗由一个或多个抗凋亡Bcl-2家族蛋白过度表达所特征的疾病的受试者，例如癌症。
• [EN] BROAD-SPECTRUM CARBAPENEMS<br/>[FR] CARBAPÉNÈMES À LARGE SPECTRE
  申请人：VENATORX PHARMACEUTICALS INC

  公开号：WO2019232053A1

  公开（公告）日：2019-12-05

  The present disclosure provides broad-spectrum carbapenem derivatives and pharmaceutical compositions useful in the treatment of bacterial infections and methods for treating such infections using such derivatives and/or compositions.

  本公开提供广谱碳青霉烯衍生物及用于治疗细菌感染的药物组合物，以及使用这些衍生物和/或组合物治疗感染的方法。
• Heteroaryl imidazolone derivatives as jak inhibitors
  申请人：Almirall, S.A.

  公开号：EP2397482A1

  公开（公告）日：2011-12-21

  New heteroaryl imidazolone derivatives having the chemical structure of formula (I) are disclosed; as well as process for their preparation, pharmaceutical compositions comprising them and their use in therapy as inhibitors of Janus Kinases (JAK).

  新的杂环基咪唑酮衍生物具有化学结构式(I)，公开了它们的制备方法，包括它们的制药组合物以及它们作为Janus激酶（JAK）抑制剂在治疗中的用途。