2-氨基环戊醇 | 89381-13-5

• 物质功能分类: 有机原料 - 氨基化合物
• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 2-氨基环戊醇
• 英文名称: 2-aminocyclopentan-1-ol
• 英文别名: 2-aminocyclopentanol；trans-2-hydroxycyclopentylamine
• CAS: 89381-13-5
• 化学式: C₅H₁₁NO
• mdl: MFCD00100903
• 分子量: 101.148
• InChiKey: JFFOUICIRBXFRC-UHFFFAOYSA-N

物化性质

• 沸点：
  114-115℃ (13 Torr)
• 密度：
  1.0617 g/cm3(Temp: 15 °C)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  7
• 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：
  46.2
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xn
• 危险类别码：
  R22,R37/38,R41
• 海关编码：
  2922199090
• 包装等级：
  III
• 危险类别：
  9
• 危险性防范说明：
  P264,P270,P301+P312,P280,P330,P501,P303+P361+P353,P304+P340,P310,P305+P351+P338,P273,P391
• 危险品运输编号：
  3082
• 危险性描述：
  H302,H314,H410
• 储存条件：
  存储条件：2-8°C，避光，并保存在惰性气体环境中。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-Amino cyclopentanol
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: 2-Amino cyclopentanol
CAS number: 89381-13-5

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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: C5H11NO
Molecular weight: 101.1

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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

用途

2-氨基环戊醇可用作医药合成中间体，可通过环氧环戊烷为原料进行制备。它可用于合成5-甲基-2-(吡啶-2-基氨基)-8H-吡啶并[2,3-d]嘧啶-7-酮化合物，进而制备治疗与细胞周期蛋白依赖性激酶信号通路相关的疾病的药物。

反应信息

• 作为反应物：
  描述：

  2-氨基环戊醇 在 咪唑 、 cyano acetic acid 、 lithium aluminium tetrahydride 、 溶剂黄146 、 三乙胺 、 间氯过氧苯甲酸 、 pyridinium chlorochromate 、 苄胺 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 二氯甲烷 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 21.0h， 生成 6-((8-(2-((tert-butyldimethylsilanyl)oxy)cyclopentyl)-6-cyano-7-oxo-7,8-dihydropyridino[2,3-d]pyrimidin-2-yl)amino)-3,4-dihydroisoquinoline-2(1H)-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  [EN] HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS
  [FR] COMPOSÉS HÉTÉROCYCLIQUES EN TANT QU'INHIBITEURS DE KINASE

  摘要：

  提供异环化合物作为CDK4或CDK6或其他CDK抑制剂。这些化合物可能作为治疗疾病的治疗剂，特别是在肿瘤学方面可能具有特殊用途。

  公开号：

  WO2021003314A1
• 作为产物：
  描述：

  1,2-环氧环戊烷 生成 2-氨基环戊醇
  参考文献：
  名称：

  Purine derivatives

  摘要：

  化合物的化学式（I）或其药学可接受的盐：##STR1## 其中X是氢，氨基，卤素，羟基，低烷氧基或低烷基，R.sup.1是##STR2## 其中Y是亚甲基或一个价键，R.sup.2和R.sup.5是H或低直链或支链烷基，R.sup.3是H或低烷基，或R.sup.2和R.sup.3可共同形成环丁基，环戊基，环己基或苯环，Z是氧，亚甲基，硫，磺酰或一个价键，R.sup.4是H，低烷基，芳基烷基，一个单环或双环芳香体系，可选择性地被各种基团取代。这些化合物被发现对治疗中枢神经系统疾病有用。

  公开号：

  US05672588A1

文献信息

• [EN] (AZA)INDAZOLYL-ARYL SULFONAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS<br/>[FR] (AZA) INDAZOLYL-ARYLE SULFONAMIDE ET COMPOSÉS APPARENTÉS ET LEUR UTILISATION DANS LE TRAITEMENT D'ÉTATS MÉDICAUX
  申请人：HIBERCELL INC

  公开号：WO2020210828A1

  公开（公告）日：2020-10-15

  The invention provides (aza)indazolyl-aryl sulfonamide and related compounds, pharmaceutical compositions, and their use in the treatment of medical conditions, such as cancer, and in inhibiting GCN2 activity.

  这项发明提供了(aza)吲哚基芳基磺酰胺及相关化合物、药物组合物，以及它们在治疗医疗状况（如癌症）和抑制GCN2活性中的用途。
• Facile Entry to 3,4-Dihydro-1<i>H</i>-pyrrolo[2,1-<i>c</i>][1,4]oxazines through the<i>oxa</i>-Pictet-Spengler Reaction
  作者：Chada Raji Reddy、Amarender Goud Burra、Kiran K. Singarapu、René Grée

  DOI：10.1002/ejoc.201600928

  日期：2016.11

  An intermolecular approach to the construction of 3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazines is reported for the first time using the oxa-Pictet–Spengler reaction. The method involves a sequence of carbon–carbon- and carbon–oxygen-bond formation between a substituted 2-(1H-pyrrol-1-yl)ethan-1-ol and an aldehyde/ketone. p-Toluenesulfonic acid (pTSA) was identified as a suitable catalyst to promote the

  首次报道了使用 oxa-Pictet-Spengler 反应构建 3,4-二氢-1H-吡咯并 [2,1-c][1,4] 恶嗪的分子间方法。该方法涉及在取代的 2-(1H-pyrrol-1-yl)ethan-1-ol 和醛/酮之间形成一系列碳-碳和碳-氧键。对甲苯磺酸 (pTSA) 被认为是促进反应的合适催化剂。该方法提供了将各种醛/酮一步转化为相应的 3,4-二氢-1H-吡咯并 [2,1-c][1,4] 恶嗪的方法。© 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
• [EN] HEPATITIS B ANTIVIRAL AGENTS<br/>[FR] AGENTS ANTIVIRAUX DE L'HÉPATITE B
  申请人：NOVIRA THERAPEUTICS INC

  公开号：WO2013096744A1

  公开（公告）日：2013-06-27

  The present invention includes a method of inhibiting, suppressing or preventing HBV infection in an individual in need thereof, comprising administering to the individual a therapeutically effective amount of at least one compound of the invention.

  本发明包括一种抑制、压制或预防需要的人体内HBV感染的方法，包括向个体投给治疗有效量的至少一种本发明的化合物。
• Direct Amination of Bio-Alcohols Using Ammonia
  作者：Dennis Pingen、Olivier Diebolt、Dieter Vogt

  DOI：10.1002/cctc.201300407

  日期：2013.10

  A slightly adapted catalyst system has been successfully applied in the direct amination of primary and secondary alcohols. Moreover, the applicability to diols has been shown, giving high selectivity towards the primary diamines. It was found that the Ru/P ratio as well as the amount of ammonia used are highly important in this system, especially for higher substrate loadings. The catalyst was employed

  略有适应的催化剂体系已成功应用于伯醇和仲醇的直接胺化。而且，已经显示出对二醇的适用性，从而对伯二胺具有高选择性。发现Ru / P比以及所用氨的量在该系统中非常重要，特别是对于较高的底物负载。将该催化剂以较大的批量规模使用，以将异甘露聚糖转化为相应的二胺。另外，表明该催化剂在至少六个连续运行中是稳定的。没有观察到明显的活性和选择性损失。
• IBX-Promoted Oxidative Cyclization of <i>N</i>-Hydroxyalkyl Enamines: A Metal-Free Approach toward 2,3-Disubstituted Pyrroles and Pyridines
  作者：Peng Gao、Huai-Juan Chen、Zi-Jing Bai、Mi-Na Zhao、Desuo Yang、Juan Wang、Ning Wang、Lele Du、Zheng-Hui Guan

  DOI：10.1021/acs.joc.0c00625

  日期：2020.6.19

  An iodoxybenzoic acid-mediated selected oxidative cyclization of N-hydroxyalkyl enamines was developed. Through this strategy, a variety of 2,3-disubstituted pyrroles and pyridines were produced in good selectivity involving oxidation of alcohol, followed by condensation of aldehyde and α-C of enamines. Furthermore, this metal-free method has several advantages, including the use of environmentally

  开发了碘氧基苯甲酸介导的N-羟烷基烯胺的选择氧化环化。通过这种策略，以良好的选择性生产了各种2,3-二取代的吡咯和吡啶，涉及醇的氧化，然后醛与烯胺的α-C缩合。此外，这种无金属方法具有多个优点，包括使用环保试剂，广泛的底物范围，温和的反应条件和高效率。