噁唑-5-甲醇 | 127232-41-1

• 物质功能分类: 有机原料 - 醇、酚、酚醇类化合物及衍生物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 噁唑-5-甲醇
• 中文别名: 5-羟甲基噁唑；1,3-恶唑-5-甲醇；5-(羟甲基)-1,3-恶唑
• 英文名称: 1,3-oxazol-5-ylmethanol
• 英文别名: oxazol-5-ylmethanol；oxazole-5-methanol；5-(hydroxymethyl)oxazole
• CAS: 127232-41-1
• 化学式: C₄H₅NO₂
• 分子量: 99.0892
• InChiKey: CRPXMLXYMBLZEP-UHFFFAOYSA-N

物化性质

• 沸点：
  212.8±15.0 °C(Predicted)
• 密度：
  1.250±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  7
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  46.3
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xi
• 危险类别码：
  R22,R41
• 海关编码：
  2934999090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  2-8°C

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: Oxazole-5-methanol
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: Oxazole-5-methanol
CAS number: 127232-41-1

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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, under −20◦C.
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: C4H5NO2
Molecular weight: 99.1

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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

反应信息

• 作为反应物：
  描述：

  噁唑-5-甲醇 在 2-碘酰基苯甲酸 作用下， 以 乙酸乙酯 为溶剂， 反应 1.0h， 生成 恶唑-5-甲醛
  参考文献：
  名称：

  Vinylnaphthalene-bearing hexaoxazole as a fluorescence turn-on type G-quadruplex ligand

  摘要：

  开发了含有乙烯基萘基团的环状六氧杂唑，作为一种荧光开启配体，选择性地针对G四链体。

  DOI：

  10.1039/d1ob01500a
• 作为产物：
  描述：

  恶唑-5-甲醛 在 sodium tetrahydroborate 作用下， 以 四氢呋喃 、 水 为溶剂， 生成 噁唑-5-甲醇
  参考文献：
  名称：

  Enantioselective total synthesis of neooxazolomycin

  摘要：

  DOI：

  10.1021/ja00166a072

文献信息

• Oxidative addition of N-halosuccinimides to palladium(0): the discovery of neutral palladium(II) imidate complexes, which enhance Stille coupling of allylic and benzylic halides
  作者：Catherine M. Crawforth、Suzanne Burling、Ian J.S. Fairlamb、Anant R. Kapdi、Richard J.K. Taylor、Adrian C. Whitwood

  DOI：10.1016/j.tet.2005.06.080

  日期：2005.10

  mediate the Stille coupling of allylic and benzylic halides with alkenyl, aryl and allyl stannanes. In competition experiments between 4-nitrobromobenzene and benzyl bromide with a cis-stannylvinyl ester, (Ph3P)2Pd(N-Succ)Br preferentially cross-couples benzyl bromide, whereas with other commonly employed precatalysts 4-nitrobromobenzene undergoes preferential cross-coupling. Furthermore, preferential

  已经研究了由空气和湿气稳定的含有琥珀酰亚胺或邻苯二甲酰亚胺（亚氨酸酯）配体的钯（II）膦配合物介导的有机锡烷和有机卤化物的斯蒂勒偶联。已经开发出一种有效的合成路线，以合成几种含有琥珀酰亚胺和邻苯二甲酰亚胺配体的钯（II）配合物。顺式-溴代双（三苯基膦）（N-琥珀酰亚胺）钯（II）[（Ph 3 P）2 Pd（N -Succ）Br]被证明可介导烯丙基和苄基卤化物的Stille偶联与烯基，芳基和烯丙基锡烷。在4-硝基溴苯和苄基溴与顺式-锡烷基乙烯基酯（Ph 3 P）2的竞争实验中Pd（N -Succ）Br优先使苄基溴交联，而与其他常用的预催化剂4-硝基溴苯进行优先交叉偶联。此外，首次观察到失活的苄基溴优先于活化的苄基溴的反应。卤化物的类型和琥珀酰亚胺配体的存在对于有效的Stille偶联至关重要。还显示出膦配体的类型改变了钯（II）琥珀酰亚胺配合物的催化活性。
• [EN] AMINOPYRIDINE DERIVATIVES AS PHOSPHATIDYLINOSITOL PHOSPHATE KINASE INHIBITORS<br/>[FR] DÉRIVÉS D'AMINOPYRIDINE UTILISÉS EN TANT QU'INHIBITEURS DE LA PHOSPHATIDYLINOSITOL PHOSPHATE KINASE
  申请人：PETRA PHARMA CORP

  公开号：WO2019126731A1

  公开（公告）日：2019-06-27

  The invention relates to inhibitors of PI5P4K inhibitors useful in the treatment of cancers, neurodegenerative diseases, inflammatory disorders, and metabolic diseases, having the Formula: (I) where A, B, R1, X1, X2, and W are described herein.

  这项发明涉及PI5P4K抑制剂，用于治疗癌症、神经退行性疾病、炎症性疾病和代谢性疾病，其化学式为：(I)，其中A、B、R1、X1、X2和W如本文所述。
• Retroviral protease inhibiting piperazine compounds
  申请人：Abbott Laboratories

  公开号：US05455351A1

  公开（公告）日：1995-10-03

  Retroviral protease inhibiting compounds of the formula: ##STR1## are disclosed.

  翻译结果为：公开了具有以下公式的逆转录病毒蛋白酶抑制化合物：##STR1##。
• [EN] 2,4-DIOXO-QUINAZOLINE-6-SULFONAMIDE DERIVATIVES AS INHIBITORS OF PARG<br/>[FR] DÉRIVÉS DE 2,4-DIOXO-QUINAZOLINE-6-SULFONAMIDE EN TANT QU'INHIBITEURS DE LA PARG
  申请人：CANCER REC TECH LTD

  公开号：WO2016092326A1

  公开（公告）日：2016-06-16

  The present invention relates to compounds of formula I that function as inhibitors of PARG (Poly ADP-ribose glycohydrolase) enzyme activity wherein R1a, R1b, R1c, R1d, R1e, W, X1, X2, X3, X4, X5, X6, X7, c are each as defined herein. The present invention also relates to processes for the preparation of these compounds, to pharmaceutical compositions comprising them, and to their use in the treatment of proliferative disorders, such as cancer, as well as other diseases or conditions in which PARG activity is implicated.

  本发明涉及作为PARG（Poly ADP-ribose glycohydrolase）酶活性抑制剂的I式化合物，其中R1a、R1b、R1c、R1d、R1e、W、X1、X2、X3、X4、X5、X6、X7、c如本文所定义。本发明还涉及制备这些化合物的方法，包括含有它们的药物组合物，以及它们在治疗增殖性疾病（如癌症）以及其他涉及PARG活性的疾病或症状中的用途。
• [EN] HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS<br/>[FR] MODULATEURS ALLOSTÉRIQUES DES PROTÉINES DU NOYAU DE L'HÉPATITE B
  申请人：UNIV INDIANA RES & TECH CORP

  公开号：WO2015138895A1

  公开（公告）日：2015-09-17

  ABSTRACT The present disclosure provides, in part, compounds having allosteric effector properties against Hepatitis B virus Cp. Also provided herein are methods of treating viral infections, such as hepatitis B, comprising administering to a patient in need thereof a disclosed compound.

  摘要 本公开提供了部分具有对乙型肝炎病毒Cp具有变构效应的化合物。本文还提供了治疗病毒感染（如乙型肝炎）的方法，包括向需要的患者施用所述化合物。