(R)-4-甲基-2-噁唑烷酮 | 4042-43-7

• 物质功能分类: 有机原料 - 酮类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 中文名称: (R)-4-甲基-2-噁唑烷酮
• 英文名称: (4R)-4-methyl-1,3-oxazolidin-2-one
• 英文别名: (4R)-4-methyloxazolidin-2-one；(R)-4-methyl-oxazolidin-2-one；(R)-4-methyloxazolidin-2-one；(4R)-4-methyloxazolidinone；(4R)-4-methyl-oxazolidin-2-one；4-(R)-methyl-oxazolidin-2-one
• CAS: 4042-43-7
• 化学式: C₄H₇NO₂
• mdl: MFCD20502409
• 分子量: 101.105
• InChiKey: VAJFEOKPKHIPEN-GSVOUGTGSA-N

物化性质

• 熔点：
  45.9 °C
• 沸点：
  302.6±9.0 °C(Predicted)
• 密度：
  1.095±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  7
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2934999090
• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H302,H317,H319
• 储存条件：
  2-8°C

SDS

Name:	(4R)-4-Methyl-2-oxazolidinone Material Safety Data Sheet
Synonym:
CAS:	4042-43-7

Section 1 - Chemical Product MSDS Name:(4R)-4-Methyl-2-oxazolidinone Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
4042-43-7	(4R)-4-Methyl-2-oxazolidinone		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:
Vacuum or sweep up material and place into a suitable disposal 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# 4042-43-7: 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: Powder
Color: white to light yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
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: C4H7NO2
Molecular Weight: 101.11

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

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 4042-43-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
(4R)-4-Methyl-2-oxazolidinone - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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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# 4042-43-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 4042-43-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 4042-43-7 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：

  碘甲基三甲基硅烷 、 (R)-4-甲基-2-噁唑烷酮 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.5h， 以80%的产率得到(R)-N-(trimethylsilylmethyl)-4-methyloxazolidin-2-one
  参考文献：
  名称：

  Isolation and syn Elimination of a Peterson Adduct to Obtain Optically Pure Product in the Diastereoselective Synthesis of Oxazolidinone- Functionalized Enecarbamates

  摘要：

  (4R)-N-(trimethylsilyl)methyl-4-alkyloxazolidin-2-one 的彼得森反应生成了 (E/Z)-(4R)-N-(2,3-二苯基-2-羟基-1-丁烯基)-4-烷基恶唑啉-2-酮（烯碳酰胺），随着温度的升高，(Z)-选择性不断增加，单个 E 异构体的非对映选择性从中等到较高不等。Peterson 加合物 (4R,3S)-N-(2,3-二苯基-2-羟基-丁-1-烯基)-4-烷基恶唑烷-2-酮（enecarbamates）的 X 射线结构揭示了通过合成消除形成单一异构体的原理。利用彼得森加合物获得的光学纯净的烯碳酸盐被进一步用于光化学和光物理研究。

  DOI：

  10.2174/157017809788681400
• 作为产物：
  描述：

  benzyl (R)-(4-methyl-2-oxooxazolidin-3-yl)carbamate 在 caesium carbonate 、 溴代丙二酸二乙酯 作用下， 以 乙腈 为溶剂， 反应 20.0h， 以89%的产率得到(R)-4-甲基-2-噁唑烷酮
  参考文献：
  名称：

  室温下的化学选择性E1cB N – N从对映选择性醛α-酰肼裂解酰肼恶嗪酮：（+）-1,4-dideoxyallonojirimycin的合成†

  摘要：

  介绍了室温下的溴化丙二酸二乙酯和碳酸钾或碳酸铯在乙腈中的N-烷基化反应，从而使恶唑烷酮酰肼在室温下以E1cB N - N裂解。该新方法的化学选择性大大提高，哌啶亚氨基糖（+）-1,4-二脱氧烯隆吉利霉素的简明全合成说明了这一点。

  DOI：

  10.1039/c5ob02560e
• 作为试剂：
  描述：

  在 二丁基镁 、 3-Phenyl-1,2-benzisothiazole 1,1-dioxide oxide 、 C₂₀H₂₃NO₂ 、 (R)-4-甲基-2-噁唑烷酮 作用下， 以 甲苯 为溶剂， 以94%的产率得到
  参考文献：
  名称：

  A tandem asymmetric oxidation-oxa-Michael sequence for dearomatization of β-naphthols

  摘要：

  DOI：

  10.1016/j.cclet.2021.12.075

文献信息

• [EN] BENZOXAZEPIN OXAZOLIDINONE COMPOUNDS AND METHODS OF USE<br/>[FR] COMPOSÉS DE BENZOXAZÉPINE OXAZOLIDINONE ET LEURS PROCÉDÉS D'UTILISATION
  申请人：HOFFMANN LA ROCHE

  公开号：WO2017001645A1

  公开（公告）日：2017-01-05

  Described herein are benzoxazepin oxazolidinone compounds with phosphoinositide- 3 kinase (PI3K) modulation activity or function having the Formula (I) structure: or stereoisomers, tautomers, or pharmaceutically acceptable salts thereof, and with the substituents and structural features described herein. Also described are pharmaceutical compositions and medicaments that include the Formula I compounds, as well as methods of using such PI3K modulators, alone and in combination with other therapeutic agents, for treating diseases or conditions that are mediated or dependent upon PI3K dysregulation.

  本发明描述了具有磷脂酰肌醇-3激酶（PI3K）调节活性的苯并恶唑啉恶唑烷酮化合物，其具有如下公式（I）结构：或立体异构体、互变异构体或药用可接受的盐，以及具有本发明所述的取代基和结构特征。还描述了包括公式I化合物的药物组合物和药物，以及使用此类PI3K调节剂的方法，单独使用或与其他治疗剂联合使用，用于治疗由PI3K失调介导或依赖的疾病或病症。
• BENZOXAZEPIN OXAZOLIDINONE COMPOUNDS AND METHODS OF USE
  申请人：Genentech, Inc.

  公开号：US20170002022A1

  公开（公告）日：2017-01-05

  Described herein are benzoxazepin oxazolidinone compounds with phosphoinositide-3 kinase (PI3K) modulation activity or function having the Formula I structure: or stereoisomers, tautomers, or pharmaceutically acceptable salts thereof, and with the substituents and structural features described herein. Also described are pharmaceutical compositions and medicaments that include the Formula I compounds, as well as methods of using such PI3K modulators, alone and in combination with other therapeutic agents, for treating diseases or conditions that are mediated or dependent upon PI3K dysregulation.

  本发明描述了具有磷脂酰肌醇-3激酶（PI3K）调节活性的苯并恶唑啉恶唑烷酮化合物，其具有如下公式I结构：或其立体异构体、互变异构体或药用可接受的盐，以及本发明所述的取代基和结构特征。还描述了包括公式I化合物的药物组合物和药物，以及使用这样的PI3K调节剂的方法，单独使用或与其他治疗剂联合使用，用于治疗由PI3K失调介导或依赖的疾病或病症。
• ISOQUINOLINES AS INHIBITORS OF HPK1
  申请人：Genentech, Inc.

  公开号：US20180282282A1

  公开（公告）日：2018-10-04

  Isoquinoline compounds and their use as inhibitors of HPK1 (hematopoietic kinase 1) are described. The compounds are useful in treating HPK1-dependent disorders and enhancing an immune response. Also described are methods of inhibitng HPK1, methods of treating HPK1-dependent disorders, methods for enhancing an immune response, and methods for preparing the isoquinoline compounds.

  描述了异喹啉化合物及其作为HPK1（造血激酶1）抑制剂的用途。这些化合物在治疗依赖于HPK1的疾病和增强免疫应答方面非常有用。还描述了抑制HPK1的方法、治疗依赖于HPK1的疾病的方法、增强免疫应答的方法，以及制备异喹啉化合物的方法。
• Heterocyclically Substituted Anilinopyrimides
  申请人：Greul Jörg Nico

  公开号：US20110245242A1

  公开（公告）日：2011-10-06

  Heterocyclically substituted anilinopyrimidines of the formula (I) in which R 1 to R 10 and L 1 , L 2 , E1, E2, E3, Y and Z have the meanings given in the description, and agrochemically active salts thereof, their use and also methods and compositions for controlling phytopathogenic harmful fungi in and/or on plants or in and/or on seed of plants, processes for preparing such compositions and treated seed and also their use for controlling phytopathogenic harmful fungi in agriculture, horticulture and forestry, in the protection of materials and in the domestic and hygiene field. The present invention furthermore relates to a process for preparing heterocyclically substituted anilinopyrimidinenes of the formula (I).

  公式（I）中的杂环取代苯基嘧啶，其中R1至R10和L1、L2、E1、E2、E3、Y和Z的含义如描述中所示，以及其农药活性盐，它们的用途以及用于控制植物或植物种子中和/或上的植物病原有害真菌的方法和组合物，制备这种组合物的过程以及处理后的种子以及它们在农业、园艺和林业中用于控制植物病原有害真菌，在材料保护以及家庭和卫生领域。此外，本发明还涉及制备公式（I）中的杂环取代苯基嘧啶的方法。
• Copper-Mediated Selective Cross-Coupling of 1,1-Dibromo-1-alkenes and Heteronucleophiles: Development of General Routes to Heterosubstituted Alkynes and Alkenes
  作者：Kévin Jouvin、Alexis Coste、Alexandre Bayle、Frédéric Legrand、Ganesan Karthikeyan、Krishnaji Tadiparthi、Gwilherm Evano

  DOI：10.1021/om3005614

  日期：2012.11.26

  site-selective, double, or alkynylative cross-coupling, therefore providing divergent and straightforward entries to numerous building blocks such as bromoenamides, ynamides, ketene N,N-acetals, bromoenol ethers, ynol ethers, ketene O,O-acetals, or vinylphosphonates and further expanding the copper catalysis toolbox with useful and versatile processes.

  据报道，有效的和通用的程序是将1，1-二溴代烯烃与N-，O-和P-亲核试剂进行交叉偶联。反应条件的微调允许位点选择性，双重或炔基交叉偶联，因此为许多结构单元（如溴酰胺，乙酰胺，乙烯酮N，N-乙缩醛，溴烯醇醚，炔醇醚）提供了分散而直接的入口，乙烯酮O，O-乙缩醛或乙烯基膦酸酯，并通过有用的通用方法进一步扩展了铜催化工具箱。