2-吡啶-2-环戊酮 | 28885-25-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 2-吡啶-2-环戊酮
• 中文别名: 2-(吡啶-2基)环戊烷
• 英文名称: 2-(2'-pyridyl)cyclopentanone
• 英文别名: 2-(Pyridin-2-yl)cyclopentan-1-one；2-pyridin-2-ylcyclopentan-1-one
• CAS: 28885-25-8
• 化学式: C₁₀H₁₁NO
• mdl: MFCD02180670
• 分子量: 161.203
• InChiKey: QCZFQABYDNWRHN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  30
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 安全说明：
  S24/25
• 海关编码：
  2933399090

SDS

Name:	2-Pyridin-2-ylcyclopentanone 97% Material Safety Data Sheet
Synonym:
CAS:	28885-25-8

Section 1 - Chemical Product MSDS Name:2-Pyridin-2-ylcyclopentanone 97% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
28885-25-8	2-Pyridin-2-ylcyclopentanone	97%	unlisted

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

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Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately.
Notes to Physician:
Treat symptomatically and supportively.

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Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container.

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Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 28885-25-8: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Liquid
Color: orange
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 65 deg C @0.1mmHg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C10H11NO
Molecular Weight: 161

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, acrid smoke and fumes.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 28885-25-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Pyridin-2-ylcyclopentanone - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
No information available.
IMO
No information available.
RID/ADR
No information available.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 28885-25-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 28885-25-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 28885-25-8 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  2-吡啶-2-环戊酮 、 hydroxylamine-O-sulfonic acid 生成 [(E)-(2-pyridin-2-ylcyclopentylidene)amino] hydrogen sulfate
  参考文献：
  名称：

  SUWINSKI, J.;WALCZAK, K., POL. J. CHEM., 1984, 58, N 10-12, 1077-1083

  摘要：

  DOI：
• 作为产物：
  描述：

  吡啶-N-氧化物 、 N-(1-环戊烯基)吗啉 在 苯甲酰氯 作用下， 以 二氯甲烷 为溶剂， 生成 2-吡啶-2-环戊酮
  参考文献：
  名称：

  通过裂解原位生成的烯胺的烯基 C-N 键，钌催化酮类作为烯基亲电子试剂与有机硼的交叉偶联

  摘要：

  开发了一种钌催化的酮与有机硼酸酯的交叉偶联反应。在该反应中，具有吡啶导向基团的酮在吡咯烷和钌催化剂存在下直接充当烯基亲电试剂，与有机硼酸酯偶联。该反应通过用吡咯烷、苄胺或异吲哚啉催化裂解由酮原位生成的烯胺中的烯基碳氮键进行。

  DOI：

  10.1021/acs.orglett.2c03765

文献信息

• 3-Cyanoquinoline inhibitors of Tpl2 kinase and methods of making and using the same
  申请人：Green Jeffrey Neal

  公开号：US20060264460A1

  公开（公告）日：2006-11-23

  The present invention provides compounds of formula (I): and pharmaceutically acceptable salts thereof, wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , m and n are defined as described herein. The invention also provides methods of making the compounds of formula (I), and methods of treating inflammatory diseases, such as rheumatoid arthritis, in a mammal comprising administering a therapeutically effective amount of a compound of formula (I) to the mammal.

  本发明提供了如下式（I）的化合物及其药用可接受的盐，其中R1、R2、R3、R4、R5、R6、R7、R8、m和n的定义如本文所述。该发明还提供了制备如式（I）化合物的方法，以及治疗炎症性疾病（如类风湿性关节炎）的方法，包括向哺乳动物施用如式（I）化合物的治疗有效量。
• Metal coordination compound, luminescence device and display apparatus
  申请人：——

  公开号：US20020094453A1

  公开（公告）日：2002-07-18

  A metal coordination compound suitable as an organic material for a luminescent device is represented by the following formula (1): 1 wherein M denotes Ir, Pt, Rh or Pd; n is 2 or 3; Y denotes an alkylene group having 2-6 carbon atoms capable of including one or at least two non-neighboring methylene groups which can be replaced with —O—, —S— or —CO— and capable of including hydrogen atom which can be replaced with a linear or branched alkyl group which has 1-10 carbon atoms and is capable of including hydrogen atom which can be replaced with fluorine atom; and CyN denotes a cyclic group containing nitrogen atom connected to M and capable of having a substituent selected from the group consisting of halogen atom; nitro group; phenyl group; trialkylsilyl group having 1-8 carbon atoms; and a linear or branched alkyl group having 1-20 carbon atoms capable of including one or at least two non-neighboring methylene groups which can be replaced with —O—, —S—, —CO—, —CO—O—, —O—CO—, —CH═CH— or —C≡C— and capable of including hydrogen atom which can be replaced with fluorine atom.

  适用于发光装置的有机材料的金属配位化合物由以下公式（1）表示：1其中M表示Ir、Pt、Rh或Pd；n为2或3；Y表示具有2-6个碳原子的烷基，能够包括一个或至少两个非相邻的甲基基团，可以用—O—、—S—或—CO—替换，并且能够包括可以用线性或支链烷基替换的氢原子，该烷基具有1-10个碳原子，并且能够包括可以用氟原子替换的氢原子；CyN表示含有氮原子的环状基团，连接到M，并且能够具有从卤素原子、硝基、苯基、具有1-8个碳原子的三烷基硅基团或具有1-20个碳原子的线性或支链烷基中选择的取代基，能够包括一个或至少两个非相邻的甲基基团，可以用—O—、—S—、—CO—、—CO—O—、—O—CO—、—CH═CH—或—C≡C—替换，并且能够包括可以用氟原子替换的氢原子。
• Studies on diastereoselective additions of 2-substituted cyclopentanones to ?-nitrostyrene
  作者：J. Deutsch、H.-J. Niclas、M. Ramm

  DOI：10.1002/prac.19953370105

  日期：——

  The Michael addition of 2-substituted cyclopentanones 1 to beta-nitrostyrene 2 proceeds at room temperature in the presence of catalysts such as NEt(3), DMAP, KOAc, or Ni(acac)(2) leading to 2-substituted 2-(2-nitro-1-phenylethyl)cyclopentanones 3/4. Depending on substituents R in 1 compounds rac-3/4 may be obtained with high diastereoselectivity. The influences of reaction conditions were studied and the diastereomeric ratio was determined by means of H-1-NMR spectroscopy. In the cases of rac-3/4a-c, rac-3g-i, rac-3k, the diastereomers could be isolated in pure form. The configuration of compounds rac-3a and rac-4a was established from X-ray crystallography.
• Preparation and thermolysis of cis- and trans-1-hydroxy-2-(2-pyridyl)cyclopentanes and cis- and trans-1-hydroxy-2-(2-pyrazyl)cyclopentanes
  作者：Yoram Houminer

  DOI：10.1021/jo00206a011

  日期：1985.3
• Suwinski, Jerzy; Walczak, Krzysztof, Polish Journal of Chemistry, 1984, vol. 58, # 10-12, p. 1077 - 1083
  作者：Suwinski, Jerzy、Walczak, Krzysztof

  DOI：——

  日期：——