3-羟基-6-苯基吡啶 | 66131-77-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 3-羟基-6-苯基吡啶
• 英文名称: 6-phenylpyridin-3-ol
• 英文别名: 2-phenyl-5-hydroxypyridine
• CAS: 66131-77-9
• 化学式: C₁₁H₉NO
• mdl: MFCD04114186
• 分子量: 171.199
• InChiKey: UAUCJEGMDDNGCV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  33.1
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2933399090

SDS

Material Safety Data Sheet

---

Section 1. Identification of the substance
Product Name: 5-Hydroxy-2-phenylpyridine
Synonyms:

---

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

---

Section 3. Composition/information on ingredients.
Ingredient name: 5-Hydroxy-2-phenylpyridine
CAS number: 66131-77-9

---

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.

---

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.

---

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.

---

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:

---

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.

---

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: C11H9NO
Molecular weight: 171.2

---

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.

---

Section 11. Toxicological information
No data.

---

Section 12. Ecological information
No data.

---

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.

---

Section 14. Transportation information
Non-harzardous for air and ground transportation.

---

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.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  3-羟基-6-苯基吡啶 在 碘苯二乙酸 、 caesium carbonate 作用下， 以 二氯甲烷 为溶剂， 以66%的产率得到6,6'-diphenyl-[2,2'-bipyridine]-3,3'-diol
  参考文献：
  名称：

  间羟基吡啶与高价碘的区域选择性同质偶联（III）

  摘要：

  与c  h的自偶联元-hydroxypyridines与phenyliodine（III）二乙酸酯（PIDA）的混合物在二氯甲烷中，在室温下，在碳酸铯的存在下进行。相对于吡啶环上的羟基，偶联反应是高度区域选择性的。用间烷氧基吡啶进行的对比控制实验表明，吡啶环上的间羟基在均偶联反应中起关键作用。

  DOI：

  10.1002/asia.201403359
• 作为产物：
  描述：

  2-benzyloxycarbonyl-3-phenyl-2-azabicyclo<2.2.0>hexa-5-ene 在 palladium on activated charcoal 氢气 、 间氯过氧苯甲酸 作用下， 以 甲苯 为溶剂， 生成 3-羟基-6-苯基吡啶
  参考文献：
  名称：

  完全不饱和单环1,4-氧杂氮杂萘的第一个实例的合成

  摘要：

  由吡啶经五个步骤制备的3-氮杂-7-氧杂三环[4.1.0.0 2,5 ]庚-3-烯（3）的光解导致环扩展，得到了新颖的1,4-氧杂氮杂（4） 。

  DOI：

  10.1039/c39860001188

文献信息

• [EN] COMPOUNDS AND METHODS FOR TREATING OXALATE-RELATED DISEASES<br/>[FR] COMPOSÉS ET MÉTHODES DE TRAITEMENT DE MALADIES LIÉES À L'OXALATE
  申请人：OXALURX INC

  公开号：WO2019165159A1

  公开（公告）日：2019-08-29

  Disclosed herein are compounds and compositions for modulating glycolate oxidase, useful for treating oxalate-related diseases, such as hyperoxaluria, where modulating glycolate oxidase is expected to be therapeutic to a patent in need thereof. Methods of modulating glycolate oxidase activity in a human or animal subject is also provided.

  本文披露了用于调节甘醇酸氧化酶的化合物和组合物，用于治疗与草酸盐相关的疾病，如高草酸尿症，其中调节甘醇酸氧化酶预计对需要治疗的患者具有疗效。还提供了在人类或动物主体中调节甘醇酸氧化酶活性的方法。
• [EN] COMPOUNDS FOR THE TREATMENT OF ONCOVIRUS INDUCED CANCER AND METHODS OF USE THEREOF<br/>[FR] COMPOSÉS POUR LE TRAITEMENT DU CANCER INDUIT PAR UN ONCOVIRUS ET LEURS PROCÉDÉS D'UTILISATION
  申请人：CELLESTIA BIOTECH AG

  公开号：WO2020208138A1

  公开（公告）日：2020-10-15

  The pesent invention relates to compounds of formula (I) pharmaceutically-acceptable salts, hydrates, solvates, or stereoisomers thereof and their use for the prevention and treatment of oncovirus induced cancer in a subject.

  本发明涉及式(I)化合物的药物可接受的盐、水合物、溶剂化物或立体异构体及其用于预防治疗宿主肿瘤病毒引起的癌症。
• [EN] ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE<br/>[FR] ISOXAZOLINES EN TANT QU'INHIBITEURS DE L'HYDROLASE DES AMIDES D'ACIDES GRAS
  申请人：INFINITY PHARMACEUTICALS INC

  公开号：WO2010135360A1

  公开（公告）日：2010-11-25

  The present invention provides isoxazoline FAAH inhibitors of the formula (I): or pharmaceutically acceptable forms thereof, wherein each of G, Ra, Rb, Rc, and Rd are as defined herein. The present invention also provides pharmaceutical compositions comprising a compound of formula (I), or a pharmaceutically acceptable form thereof, and a pharmaceutically acceptable excipient. The present invention also provides methods for treating an FAAH-mediated condition comprising administering a therapeutically effective amount of a compound of formula (I), or pharmaceutically acceptable form thereof, to a subject in need thereof.

  本发明提供了式(I)的异噁唑啉FAAH抑制剂或其药用可接受形式，其中G、Ra、Rb、Rc和Rd中的每一个如本文所定义。本发明还提供了包括式(I)化合物或其药用可接受形式以及药用可接受赋形剂的药物组合物。本发明还提供了治疗FAAH介导疾病的方法，包括向需要的受试者施用式(I)化合物或其药用可接受形式的治疗有效量。
• Contrasting Anticancer Activity of Half-Sandwich Iridium(III) Complexes Bearing Functionally Diverse 2-Phenylpyridine Ligands
  作者：Adam J. Millett、Abraha Habtemariam、Isolda Romero-Canelón、Guy J. Clarkson、Peter J. Sadler

  DOI：10.1021/acs.organomet.5b00097

  日期：2015.6.8

  [(η5-Cp*)Ir(2-(2′-fluorophenyl)pyridine)Cl] (1) and [(η5-Cp*)Ir(2-(4′-fluorophenyl)pyridine)Cl] (2) exhibit the expected “piano-stool” configuration. DFT calculations showed that substituents caused only localized effects on the electrostatic potential surface of the chelating 2-PhPy ligand of the complexes. Hydrolysis of all complexes is rapid, but readily reversed by addition of NaCl. The complexes show preferential

  我们报告了 [(η 5 -Cp*)Ir(2-(R'-苯基)-R-吡啶)Cl]类型的 15 种铱 (III) 半夹心配合物的合成、表征和抗增殖活性在 2-苯基吡啶 (2-PhPy) 螯合配体上不同位置的给电子 (-OH, -CH 2 OH, -CH 3 ) 或吸电子 (-F, -CHO, -NO 2 ) 基团产生六组结构异构体。[(η 5 -Cp*)Ir(2-(2'-氟苯基)吡啶)Cl] ( 1 ) 和 [(η 5 -Cp*)Ir(2-(4'-氟苯基) )吡啶)Cl] ( 2) 表现出预期的“钢琴凳”配置。DFT 计算表明，取代基仅对配合物的螯合 2-PhPy 配体的静电势表面产生局部影响。所有复合物的水解都很快，但很容易通过添加 NaCl 逆转。复合物显示出优先结合 9-乙基鸟嘌呤而不是 9-甲基腺嘌呤，并且是将 NADH 氧化为 NAD + 的活性催化剂。A2780 卵巢癌、MCF-7 乳腺癌、A549
• [EN] INHIBITORS OF NOTCH SIGNALLING PATHWAY AND USE THEREOF IN TREATMENT OF CANCERS<br/>[FR] INHIBITEURS DE LA VOIE DE SIGNALISATION NOTCH ET LEUR UTILISATION DANS LE TRAITEMENT DE CANCERS
  申请人：CELLESTIA BIOTECH AG

  公开号：WO2020208139A1

  公开（公告）日：2020-10-15

  The present invention relates to new inhibitors of Notch signalling pathway and its use in the treatment and/or prevention of cancers.

  本发明涉及新的Notch信号通路抑制剂及其在治疗和/或预防癌症中的应用。