(四氢吡喃-3-基)甲醇 | 14774-36-8

• 物质功能分类: 有机原料 - 醚类化合物及其衍生物 - 醚、醚醇
• 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: (四氢吡喃-3-基)甲醇
• 中文别名: 3-(羟甲基)四氢吡喃
• 英文名称: (tetrahydro-2H-pyran-3-yl)methanol
• 英文别名: 3-(hydroxymethyl)tetrahydropyran；(Tetrahydropyran-3-yl)methanol；oxan-3-ylmethanol
• CAS: 14774-36-8
• 化学式: C₆H₁₂O₂
• mdl: MFCD08235011
• 分子量: 116.16
• InChiKey: VFTQJKSRDCKVQA-UHFFFAOYSA-N

物化性质

• 沸点：
  214℃
• 密度：
  1.000
• 闪点：
  95℃

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  8
• 可旋转键数：
  1
• 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

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 安全说明：
  S26,S39
• 危险类别码：
  R37/38,R41
• 海关编码：
  2932999099
• 危险类别：
  IRRITANT
• WGK Germany：
  3
• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H317,H319

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: Oxan-3-ylmethanol
Synonyms: (TETRAHYDRO-PYRAN-3-YL)-METHANOL

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and 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

---

Section 3. Composition/information on ingredients.
Ingredient name: Oxan-3-ylmethanol
CAS number: 14774-36-8

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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.

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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
No data
Boiling point:
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C6H12O2
Molecular weight: 116.2

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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

制备方法与用途

(四氢吡喃-3-基)甲醇可以作为有机合成中间体和医药中间体，在实验室研发和化工生产合成过程中广泛应用。

上下游信息

• 下游产品

  中文名称	英文名称	CAS号	化学式	分子量
  ——	tetrahydro-2H-pyran-3-carboxylic acid	1062515-14-3	C6H10O3	130.144

反应信息

• 作为反应物：
  描述：

  (四氢吡喃-3-基)甲醇 在 4-乙酰氨-2,2,6,6-四甲基哌啶-1-氧 作用下， 以 aq. buffer 为溶剂， 反应 5.0h， 以99%的产率得到tetrahydro-2H-pyran-3-carboxylic acid
  参考文献：
  名称：

  4-乙酰胺基-TEMPO催化醇和醛电化学氧化成羧酸：“ Anelli”和“ Pinnick”氧化的替代方法

  摘要：

  已经开发出一种电催化方法，使用4-乙酰氨基-2,2,6,6-四甲基哌啶-1-氧基（ACT）作为介体，将伯醇和醛氧化为相应的羧酸。该方法在室温下将水溶液中的苄基，脂族，杂环和其他含杂原子的底物成功转化为相应的羧酸。温和的条件能够使立体化学保留在氧化位点附近，如左乙拉西坦（一种用于治疗癫痫的药物）的前体的40克规模合成所证明的。

  DOI：

  10.1021/acscatal.8b01640
• 作为产物：
  描述：

  四氢吡喃-3-甲醛 在 盐酸 、 sodium borohydrid 作用下， 以 甲醇 、 二氯甲烷 、 水 为溶剂， 生成 (四氢吡喃-3-基)甲醇
  参考文献：
  名称：

  1,3,4-oxadiazol-2(3H)-one derivatives, their preparation and their

  摘要：

  公式为##STR1##的1,3,4-噁二唑-2（3H）-酮衍生物，其中R.sub.1表示氢原子或线性或支链（C.sub.1-4）烷基，该烷基被羟基，苯氧基，（C.sub.1-4）烷氧基，（C.sub.1-4）烷基硫基，巯基，（C.sub.1-4）烷氧基 -（C.sub.1-4）烷氧基，二（C.sub.1-4）烷基氨基或N-（C.sub.1-4）烷基-N-丙炔基氨基取代，或表示（C.sub.3-4）炔基；R.sub.2表示线性或支链（C.sub.1-8）烷基，该烷基被一种或多种卤素原子和/或羟基，1-咪唑基或3-四氢吡喃基取代，或表示三氟（C.sub.3-5）烯基，以纯对映体或对映体混合物的形式存在，包括外加药物可接受酸盐，作为单胺氧化酶B的抑制剂。

  公开号：

  US05525619A1

文献信息

• [EN] INDAZOLE- AND PYRROLOPYRIDINE-DERIVATIVE AND PHARMACEUTICAL USE THEREOF<br/>[FR] DÉRIVÉ D'INDAZOLE ET PYRROLOPYRIDINE ET UTILISATION PHARMACEUTIQUE DE CELUI-CI
  申请人：DAINIPPON SUMITOMO PHARMA CO

  公开号：WO2012169649A1

  公开（公告）日：2012-12-13

  The present invention relates to a novel indazole- or pyrrolopyridine-derivative, represented by the formula (1) below, that has an agonistic action or a partial agonistic action against serotonin-4 receptor, and a pharmaceutical composition comprising the same. Formula (1) [wherein each substituent is as defined in claim 1]

  本发明涉及一种新型吲唑基或吡咯吡啶基衍生物，由下面的式（1）表示，该衍生物对5-羟色胺-4受体具有激动作用或部分激动作用，并且包括含有该衍生物的药物组合物。式（1）[其中每个取代基如权利要求1所定义]
• NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF
  申请人：Florjancic S. Alan

  公开号：US20080058335A1

  公开（公告）日：2008-03-06

  The present invention relates to compounds of formula (I), or pharmaceutical salts, prodrugs, salts of prodrugs, or combinations thereof, wherein R 1 , R 2 , R 3 , and L 1 are defined in the specfication, compositions comprising such compounds, and methods of treating conditions and disorders using such compounds and compositions. The present invention also relates to compounds of formula (II), or pharmaceutical salts, prodrugs, salts of prodrugs, or combinations thereof, wherein R 1a , R 2a and (Rx)n are as defined in the specification, compositions comprising such compounds, and methods of treating conditions and disorders using such compounds and compositions.

  本发明涉及式(I)的化合物，或药用盐、前药、前药的盐或其组合物， 其中R 1 ，R 2 ，R 3 和L 1 在规范中定义，包含这种化合物的组合物，以及使用这种化合物和组合物治疗疾病和疾病的方法。本发明还涉及式(II)的化合物，或药用盐、前药、前药的盐或其组合物， 其中R 1a ，R 2a 和(Rx)n如规范中定义，包含这种化合物的组合物，以及使用这种化合物和组合物治疗疾病和疾病的方法。
• [EN] 5-AMINO-8-(4-PYRIDYL)-[1,2,4]TRIAZOLO[4,3-C]PYRIMIDIN-3-ONE COMPOUNDS FOR USE AGAINST CANCER<br/>[FR] COMPOSÉS DE 5-AMINO-8-(4-FLUOROPHÉNYL)-[1,2,4]TRIAZOLO [4,3-C]PYRIMIDIN-3-ONE DESTINÉS À ÊTRE UTILISÉS CONTRE LE CANCER
  申请人：ASTRAZENECA AB

  公开号：WO2021191379A1

  公开（公告）日：2021-09-30

  Described herein are triazalone compounds of Formula (I): and pharmaceutically acceptable salts thereof. Methods of making and using compounds of Formula (I) are also described. Compounds of Formula (I) and pharmaceutically acceptable salts thereof can be useful as adenosine receptor antagonists, for example in the treatment of diseases or conditions mediated by the adenosine receptor, such as cancer, movement disorders, or attention disorders.

  本文描述了式（I）的三唑酮化合物及其药学上可接受的盐。还描述了制备和使用式（I）化合物的方法。式（I）的化合物及其药学上可接受的盐可用作腺苷受体拮抗剂，例如在治疗由腺苷受体介导的疾病或症状，如癌症、运动障碍或注意障碍方面。
• [EN] 3-SUBSTITUTED 2-AMINO-INDOLE DERIVATIVES<br/>[FR] DÉRIVÉS DE 2-AMINO-INDOLE 3-SUBSTITUÉS
  申请人：TAKEDA PHARMACEUTICAL

  公开号：WO2015198045A1

  公开（公告）日：2015-12-30

  The present invention provides compounds of formula (I) (Formula (I)) and pharmaceutically acceptable salts thereof, wherein Q, X% X4,X5 X6, X7,R1, R2, R3 and R8 are as defined in the specification, processes for the preparation of such compounds, pharmaceutical compositions containing them and the use of such compounds in therapy.

  本发明提供了公式(I)（公式(I)）的化合物及其药用可接受的盐，其中Q，X，X4，X5，X6，X7，R1，R2，R3和R8如说明书中所定义，这些化合物的制备方法，包含它们的药物组合物以及这些化合物在治疗中的用途。
• [EN] NOVEL TETRAZOLE COMPOUNDS AND THEIR USE IN THE TREATMENT OF TUBERCULOSIS<br/>[FR] NOUVEAUX COMPOSÉS DE TÉTRAZOLE ET LEUR UTILISATION DANS LE TRAITEMENT DE LA TUBERCULOSE
  申请人：GLAXOSMITHKLINE IP DEV LTD

  公开号：WO2019034729A1

  公开（公告）日：2019-02-21

  The invention relates to a compound of Formula (I) or a pharmaceutically acceptable salt thereof and their use in therapy, for example in the treatment of mycobacterial infections or in the treatment of diseases caused by mycobacterium, such as tuberculosis.

  这项发明涉及到式（I）的化合物或其药用盐以及它们在治疗中的应用，例如在治疗分枝杆菌感染或治疗由分枝杆菌引起的疾病，如结核病。