(tetrahydro-2H-pyran-4,4-diyl)dimethanol | 89975-77-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧烷类
• 英文名称: (tetrahydro-2H-pyran-4,4-diyl)dimethanol
• 英文别名: [4-(Hydroxymethyl)oxan-4-yl]methanol
• CAS: 89975-77-9
• 化学式: C₇H₁₄O₃
• mdl: MFCD16653124
• 分子量: 146.186
• InChiKey: NKSPVEFJJKKISK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.7
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  49.7
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2932999099

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: [4-(Hydroxymethyl)oxan-4-yl]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: [4-(Hydroxymethyl)oxan-4-yl]methanol
CAS number: 89975-77-9

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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.
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: C7H14O3
Molecular weight: 146.2

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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

反应信息

• 作为反应物：
  描述：

  (tetrahydro-2H-pyran-4,4-diyl)dimethanol 在 草酰氯 、 sodium hydride 、 potassium carbonate 、 二甲基亚砜 作用下， 以 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 、 mineral oil 为溶剂， 反应 1.08h， 生成 4-[(benzyloxy)methyl]-4-ethynyloxane
  参考文献：
  名称：

  SUBSTITUTED TRICYCLICS AND METHOD OF USE

  摘要：

  本发明提供了一种具有以下结构的化合物（I），其中X、Y和R1具有规范中定义的任何值，以及其药学上可接受的盐，这些化合物在治疗由CFTR介导和调节的疾病和症状中是有用的，包括囊性纤维化、Sjögren综合征、胰腺功能不全、慢性阻塞性肺病和慢性阻塞性气道疾病。还提供了由一个或多个具有结构（I）的化合物组成的药物组合物。

  公开号：

  US20170015675A1
• 作为产物：
  描述：

  4,4-四氢吡喃二羧酸二乙酯 在 sodium hydroxide 作用下， 以 乙醚 、 水 、 乙酸乙酯 为溶剂， 生成 (tetrahydro-2H-pyran-4,4-diyl)dimethanol
  参考文献：
  名称：

  Cationic complexes of technetium-99m

  摘要：

  该发明涉及锝-99m与双齿配体（L）形成的阳离子络合物，包括具有公式[Tc(NO)XL.sub.2].sup.+和[TcL.sub.3].sup.+的络合物，这些络合物作为心脏成像剂具有兴趣。这些配体的特征是具有公式Y.sub.2QZQY.sub.2，其中每个Q是磷或砷，Z是一个含有2或3个碳原子的连接基团，至少其中一个Y和Z组包含至少一个--COC--醚基团。

  公开号：

  US04916214A1

文献信息

• [EN] ADENOSINE RECEPTOR BINDING COMPOUNDS<br/>[FR] COMPOSÉS SE LIANT AU RÉCEPTEUR DE L'ADÉNOSINE
  申请人：NIKANG THERAPEUTICS INC

  公开号：WO2020014332A1

  公开（公告）日：2020-01-16

  The present invention relates to pharmaceutical compounds and compositions of Formula (I) and methods of treatment using the compounds and compositions, especially for the treatment and/or prevention of a proliferation disorder, such as cancer. Compounds of Formula (I) as further described herein are shown modulators of the adenosine A2A receptor and exhibit antiproliferative activity. Accordingly, these compounds are useful to treat proliferative disorders such as cancer, and other adenosine receptor-related conditions including an inflammatory disease, renal disease, diabetes, vascular disease, lung disease, or an autoimmune disease.

  本发明涉及化学式（I）的药物化合物和组合物，以及使用这些化合物和组合物进行治疗的方法，特别是用于治疗和/或预防增殖性疾病，如癌症。如本文进一步描述的化合物（I）被显示为腺苷A2A受体的调节剂，并表现出抗增殖活性。因此，这些化合物对于治疗增殖性疾病如癌症以及其他与腺苷受体相关的疾病条件包括炎症性疾病、肾脏疾病、糖尿病、血管疾病、肺部疾病或自身免疫疾病是有用的。
• Monophosphates as Mutual Prodrugs of Anti-Inflammatory Signal Transduction Modulators (AISTM's) and Beta-Agonists for the Treatment of Pulmonary Inflammation and Bronchoconstriction
  申请人：Baker William

  公开号：US20100098641A1

  公开（公告）日：2010-04-22

  A mutual prodrug of an AISTM and a β-agonist in formulation for delivery by aerosolization to inhibit pulmonary inflammation and bronchoconstriction is described. The mutual prodrug is preferably formulated in a small volume solution (10-500 μL) dissolved in a quarter normal saline having pH between about 5.0 and 7.0 for the treatment of respiratory tract inflammation and bronchoconstriction by an aerosol having mass median average diameter predominantly between about 1 to 5μ, produced by nebulization or by dry powder inhaler.

  描述了一种AISTM和β-激动剂的相互前药，用喷雾剂递送以抑制肺部炎症和支气管收缩。最好将相互前药制成小体积溶液（10-500μL），溶于pH在约5.0至7.0之间的四分之一正常盐水中，通过雾化或干粉吸入器产生主要在1至5μ之间的质量中位数平均直径的气溶胶，用于治疗呼吸道炎症和支气管收缩。
• NOVEL PHOSPHODIESTERASE INHIBITORS
  申请人：Felding Jakob

  公开号：US20100099688A1

  公开（公告）日：2010-04-22

  The present invention relates to a compound according to formula I, wherein X, A, G, E, R 1 , R 2 , R 3 are as shown herein; and pharmaceutically acceptable salts, hydrates, N-oxides or solvates hereof. The invention further relates to said compounds for use in therapy, to pharmaceutical compositions comprising said compounds, to methods of treating diseases, e.g. dermal diseases, with said compounds, and to the use of said compounds in the manufacture of medicaments.

  本发明涉及公式I所示的化合物，其中X，A，G，E，R1，R2，R3如下所示；以及其药学上可接受的盐，水合物，N-氧化物或溶剂化物。本发明还涉及上述化合物在治疗中的使用，包括含有该化合物的药物组合物，用于治疗疾病（例如皮肤疾病）的方法，以及该化合物在制药中的使用。
• WO2008/104175
  申请人：——

  公开号：——

  公开（公告）日：——
• One-Pot Multi-Component Synthesis and Solid State Structures of Functionally Rich Polyether Macrocycles
  作者：Mahesh Vishe、Radim Hrdina、Laure Guénée、Céline Besnard、Jérôme Lacour

  DOI：10.1002/adsc.201300462

  日期：2013.11.11

  AbstractDensely functionalized polyether macrocycles can be prepared in one pot in yields up to 60% by the rhodium(II)‐catalyzed decomposition of methyl diazoacetoacetate in the presence of a variety of substituted or unsaturated 5‐ and 6‐membered ring cyclic ethers. A comprehensive analysis of the solid state conformations of the macrocyclic geometries is detailed as well as novel mechanistic insights about the multi‐component condensation reaction.magnified image