4-(benzyloxy)picolinonitrile | 100382-00-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-(benzyloxy)picolinonitrile
• 英文别名: 4-phenylmethoxypyridine-2-carbonitrile
• CAS: 100382-00-1
• 化学式: C₁₃H₁₀N₂O
• 分子量: 210.235
• InChiKey: KHDORVLVNIOXJY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  45.9
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2933399090
• 危险性防范说明：
  P264,P280,P302+P352,P305+P351+P338,P332+P313,P337+P313,P362
• 危险性描述：
  H315,H319
• 储存条件：
  应存放在室温、密封、干燥、避光条件下。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-(Benzyloxy)picolinonitrile
Synonyms: 4-Benzyloxy-2-cyanopyridine

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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-(Benzyloxy)picolinonitrile
CAS number: 100382-00-1

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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.
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: C13H10N2O
Molecular weight: 210.2

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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, 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：

  4-(benzyloxy)picolinonitrile 在 sodium tetrahydroborate 、 palladium 10% on activated carbon 、 氢气 作用下， 以 四氢呋喃 、 甲醇 、 乙醚 为溶剂， 反应 44.0h， 生成 2-((4-fluorophenyl)(hydroxy)methyl)pyridin-4(1H)-one
  参考文献：
  名称：

  基于 SPF-32629A 的 2- 和 4- 吡啶酮类似物作为食糜酶抑制剂的合成、生物学评价

  摘要：

  糜蛋白酶 (EC 3.4.21.39) 是一种糜蛋白酶样丝氨酸蛋白酶，存在于肥大细胞的分泌颗粒中，主要位于许多哺乳动物物种的心脏、血管和皮肤中。其生理底物是血管紧张素 I，在被糜酶裂解后，在肾素-血管紧张素系统的步骤中产生血管紧张素 II。此外，已知它促进肥大细胞脱粒，并在气道分泌物和皮肤的特应性或过敏性炎症中起作用。因此糜酶被认为是心血管疾病以及过敏/炎症性疾病的潜在治疗靶点。SPF-32629A (1) 和 B (2) 是从 Penicillium sp. 的培养液中分离出来的。SPF-32629 对人糜酶具有抑制活性，IC50 分别为 0.25 和 0.42 μg/mL，作为选择性抑制剂。它们在苯基甲醇上具有 4-羟基-2-吡啶酮骨架（图 1）。Mukkanti 小组报告了 1 和 2 的首次合成和结构测定，但迄今为止还没有开发出用于抑制糜酶的类似物。在这项工作中，通过短而有效的途径合成了

  DOI：

  10.5012/bkcs.2014.35.8.2547
• 作为产物：
  描述：

  4-硝基吡啶-N-氧化物 在 sodium hydride 、 二甲氨基甲酰氯 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 、 mineral oil 为溶剂， 反应 1.0h， 生成 4-(benzyloxy)picolinonitrile
  参考文献：
  名称：

  [EN] FUMAGILLOL COMPOUNDS AND METHODS OF MAKING AND USING SAME
  [FR] COMPOSÉS DE FUMAGILLOL, ET LEURS PROCÉDÉS DE FABRICATION ET D'UTILISATION

  摘要：

  本文披露了富马醇类化合物及其在治疗医学疾病（如肥胖症）中的用途方法。提供了富马醇类化合物的药物组合物和制备方法。这些化合物被认为对蛋氨酸氨肽酶2具有活性。

  公开号：

  WO2018031877A1

文献信息

• [EN] COMPOUNDS AND USES THEREOF<br/>[FR] COMPOSÉS ET LEURS UTILISATIONS
  申请人：FOGHORN THERAPEUTICS INC

  公开号：WO2021155320A1

  公开（公告）日：2021-08-05

  The present disclosure features compounds useful for the treatment of BAF complex-related disorders.

  本公开涉及用于治疗BAF复合物相关疾病的化合物。
• The first total synthesis of novel human chymase inhibitor SPF32629A
  作者：Srinivasa Rao Vegi、Shanthaveerappa K. Boovanahalli、Arun Prakash Sharma、K. Mukkanti

  DOI：10.1016/j.tetlet.2008.08.048

  日期：2008.10

  The first total synthesis of SPF32629A, a novel human chymase inhibitor, has been accomplished from the readily available precursor 4-nitropyridine N-oxide, following an efficient strategy with a sequence of eight straightforward steps.

  遵循八个步骤的有效策略，由一种容易获得的前体4-硝基吡啶N-氧化物完成了SPF32629A（一种新型人糜酶抑制剂）的第一个全合成。
• PYRIDINE COMPOUND AND USE THEREOF FOR PEST CONTROL
  申请人：Mizuno Hajime

  公开号：US20110178132A1

  公开（公告）日：2011-07-21

  Disclosed is a pyridine compound represented by general formula (I). (In the formula, R 1 represents a C 1 -C 7 alkyl group which may be substituted by a halogen atom, or the like; m represents an integer of 1-5; A represents a single bond, an oxygen atom, a sulfur atom or the like; and R 2 represents a C 1 -C 7 alkyl group which may be substituted by a halogen atom, or the like.) Also disclosed are a pest control composition containing the pyridine compound as an active ingredient, and a method for controlling pests by applying the pyridine compound to pests or habitats of pests.

  本发明公开了一种由通式(I)表示的吡啶化合物。(在该式中，R1代表可以被卤素原子等取代的C1-C7烷基；m代表1-5的整数；A代表单键、氧原子、硫原子或类似物；R2代表可以被卤素原子等取代的C1-C7烷基。)还公开了一种含有该吡啶化合物作为活性成分的杀虫剂组合物，以及通过将该吡啶化合物施用于害虫或害虫栖息地来控制害虫的方法。
• FUMAGILLOL COMPOUNDS AND METHODS OF MAKING AND USING SAME
  申请人：Zafgen, Inc.

  公开号：EP3497098A1

  公开（公告）日：2019-06-19
• COMPOUNDS AND USES THEREOF
  申请人：Foghorn Therapeutics Inc.

  公开号：EP4096667A1

  公开（公告）日：2022-12-07