3-羟基四氢吡喃 | 19752-84-2

• 物质功能分类: 医药中间体 - 杂环化合物 - 吡喃类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧烷类
• 中文名称: 3-羟基四氢吡喃
• 中文别名: 四氢-2H-吡喃-3-醇；3-羟基吡喃
• 英文名称: Oxan-3-ol
• 英文别名: tetrahydro-2H-pyran-3-ol；3-hydroxytetrahydropyran；tetrahydropyran-3-ol；3-hydroxytetrahydropyrane；(+)-3-Hydroxytetrahydro-2H-pyran
• CAS: 19752-84-2
• 化学式: C₅H₁₀O₂
• mdl: MFCD00219387
• 分子量: 102.133
• InChiKey: BHDLTOUYJMTTTM-UHFFFAOYSA-N

物化性质

• 沸点：
  88 °C(Press: 18 Torr)
• 密度：
  1.080±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 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：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2932999099
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 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: Tetrahydro-2h-pyran-3-ol
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: Tetrahydro-2h-pyran-3-ol
CAS number: 19752-84-2

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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, refrigerated.
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: C5H10O2
Molecular weight: 102.1

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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.

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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：

  3-羟基四氢吡喃 在 氢气 作用下， 199.84 ℃ 、8.0 MPa 条件下， 反应 6.0h， 以2.6 mmol的产率得到1,4-戊二醇
  参考文献：
  名称：

  rh改性的负载型铱催化剂对带有OH基的环状醚进行C–O键氢解

  摘要：

  在Ir–ReO x / SiO 2催化剂上将四氢糠醇加氢水解为1,5-戊二醇和其他相关的底物，例如3-羟基四氢呋喃和1,2-环己二醇。TOF值高于Rh-ReO x / SiO 2，据报道它是一种有效的催化剂。对产物的选择性（与底物中C-OH基团相邻的C-O键解离了）与Rh-ReO x / SiO 2相当或更高。除1,2-环己二醇外，大多数底​​物的氢解反应都是通过直接机理进行的，其中氢分子形成的氢化物会攻击C–O键的反位置。在氢解1，2-环己二醇的情况下，不利于C–O键反位的攻击，涉及脱氢成2-羟基环己酮的间接机理是导致环己醇形成的原因。

  DOI：

  10.1016/j.jcat.2012.07.015
• 作为产物：
  描述：

  3,4-二氢-2H-吡喃 在 titanium(III) chloride sodium tetrahydroborate 、 18-冠醚-6 、 双氧水 、 sodium methylate 作用下， 生成 3-羟基四氢吡喃
  参考文献：
  名称：

  REGIO- AND STEREO-SELECTIVITIES IN THE TITANIUM COMPLEX CATALYZED HYDROBORATION OF CARBON–CARBON DOUBLE BONDS IN VARIOUS UNSATURATED COMPOUNDS

  摘要：

  由TiCl3和NaBH4在THF中，在18-冠-6的存在下制备的钛配合物催化了烯烃、烯烃二烯和不饱和醚的碳-碳双键的氢硼化反应，生成的钠有机硼化合物可以通过H2O2/CH3ONa氧化转化为醇。该反应具有很高的区域选择性和立体选择性。

  DOI：

  10.1246/cl.1984.673

文献信息

• [EN] PYRAZOLYLAMINOBENZIMIDAZOLE DERIVATIVES AS JAK INHIBITORS<br/>[FR] DÉRIVÉS DE PYRAZOLYLAMINOBENZIMIDAZOLE EN TANT QU'INHIBITEURS DE JAK
  申请人：LILLY CO ELI

  公开号：WO2018013486A1

  公开（公告）日：2018-01-18

  The present invention provides compounds of the formula below (I'): where R, and R1-R3 are as described herein, methods of treating patients for certain types of autoimmune diseases and cancer, and processes for preparing the compounds.

  本发明提供了以下式(I')的化合物：其中R，R1-R3如本文所述，治疗某些类型的自身免疫疾病和癌症的方法，以及制备这些化合物的方法。
• [EN] TANK-BINDING KINASE INHIBITOR COMPOUNDS<br/>[FR] COMPOSÉS INHIBITEURS DE KINASES SE LIANT À TANK
  申请人：GILEAD SCIENCES INC

  公开号：WO2015187684A1

  公开（公告）日：2015-12-10

  Compounds having the following formula (I) and methods of their use and preparation are disclosed:

  揭示了具有以下化学式（I）的化合物及其使用和制备方法。
• [EN] TRICYCLIC MODULATORS OF TNF SIGNALING<br/>[FR] MODULATEURS TRICYCLIQUES DE LA SIGNALISATION DU TNF
  申请人：ABBVIE INC

  公开号：WO2016168641A1

  公开（公告）日：2016-10-20

  The invention provides tricyclic heterocyclic compounds, pharmaceutically acceptable salts, prodrugs, biologically active metabolites, stereoisomers and isomers thereof wherein the variables are defined herein. The compounds of the invention may be useful for treating immunological and oncological conditions.

  这项发明提供了三环杂环化合物，其药用盐、前药、生物活性代谢物、立体异构体和同分异构体，其中变量在此处定义。该发明的化合物可能对治疗免疫和肿瘤疾病有用。
• Regiochemical control of the ring opening of 1,2-epoxides by means of chelating processes. Part 15: Regioselectivity of the opening reactions with MeOH of remote O-substituted regio- and diastereoisomeric pyranosidic epoxides under condensed- and gas-phase operating conditions
  作者：Paolo Crotti、Gabriele Renzi、Lucilla Favero、Graziella Roselli、Valeria Di Bussolo、Micaela Caselli

  DOI：10.1016/s0040-4020(03)00078-4

  日期：2003.2

  The regiochemical behavior of pairs of regio- and diastereoisomeric epoxides derived from the 3,4,5,6-tetrahydro-2H-pyrane system, bearing an acetal group as the remote functionality, was determined in the acid methanolysis in the condensed phase (cd-phase) and in the reaction with MeOH in the gas-phase using a gaseous acid (D3+), as the promoting agent. With only one exception, the results obtained

  在缩合相的酸性甲醇分解中，确定了由3,4,5,6-四氢-2 H-吡喃体系衍生的成对的对-对映体和非对映异构体环氧化物的对区域化学行为（以缩醛为远程官能团）（ cd-相）和在气相中与MeOH的反应中，使用气态酸（D 3 +）作为促进剂。仅有一个例外，在这些环氧化物的打开过程中获得的结果表明，D +介导的螯合双齿物种在气相中的侵入能够改变在cd相甲醇解中发现的区域化学结果。
• [EN] PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS<br/>[FR] COMPOSES DE PYRAZINE COMME INHIBITEURS DE PHOSPHODIESTERASE 10
  申请人：AMGEN INC

  公开号：WO2010057121A1

  公开（公告）日：2010-05-20

  Pyrazine compounds, and compositions containing them, and processes for preparing such compounds. Provided herein also are methods of treating disorders or diseases treatable by inhibition of PDE10, such as obesity, non-insulin dependent diabetes, schizophrenia, bipolar disorder, obsessive-compulsive disorder, and the like.

  吡嗪化合物、含有它们的组合物以及制备这些化合物的方法。还提供了通过抑制PDE10治疗可治疗的疾病或病症的方法，例如肥胖、非胰岛素依赖型糖尿病、精神分裂症、双相情感障碍、强迫症等。