3-羟基吡啶-2-甲醇 | 14047-53-1

• 物质功能分类: 医药中间体 - 吡啶类化合物
• 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-羟基吡啶-2-甲醇
• 中文别名: 2-(羟基甲基)吡啶-3-醇
• 英文名称: 3-hydroxy-2-hydroxymethylpyridine
• 英文别名: 3-hydroxy-2-(hydroxymethyl)-pyridine；3-hydroxy-2-(hydroxymethyl)pyridine；3-hydroxy-2-hydroxymethyl-pyridine；(3-hydroxy-2-pyridyl)-methanol；2-(hydroxymethyl)pyridin-3-ol；3-hydroxypyridine-2-methanol
• CAS: 14047-53-1
• 化学式: C₆H₇NO₂
• mdl: MFCD00128114
• 分子量: 125.127
• InChiKey: ZJRBRKUGRKKZOO-UHFFFAOYSA-N

物化性质

• 熔点：
  132 °C
• 沸点：
  393.2±27.0 °C(Predicted)
• 密度：
  1.318±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.166
• 拓扑面积：
  53.4
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2933399090

SDS

Material Safety Data Sheet

---

Section 1. Identification of the substance
Product Name: 2-(Hydroxymethyl)pyridin-3-ol
Synonyms:

---

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

---

Section 3. Composition/information on ingredients.
Ingredient name: 2-(Hydroxymethyl)pyridin-3-ol
CAS number: 14047-53-1

---

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: C6H7NO2
Molecular weight: 125.1

---

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-羟基吡啶-2-甲醇 在 manganese(IV) oxide 作用下， 以 氯仿 为溶剂， 反应 3.0h， 以1.6%的产率得到3-羟基-2-吡啶甲醛
  参考文献：
  名称：

  1-氨基-3-羟基胍甲苯磺酸盐的取代水杨醛席夫碱作为新型抗冠状病毒抗病毒药物的设计，合成，测试和定量构效关系分析。

  摘要：

  羟基氨基胍（SB-HAG）的席夫碱的结构特征的进一步修改导致HAG衍生物（SSB-HAG）衍生物和其他三个SB-HAG衍生物的九个取代的水杨醛席夫碱。首次对这些新化合物进行了抗冠状病毒，小鼠肝炎病毒（MHV）感染的测试。最具活性的化合物2 [1-[（（3'-烯丙基-2'-羟基亚苄基）氨基] -3-羟基胍]对MHV的生长比羟基胍的活性高约376倍，比HAG活性高约564倍比较TCID50值本身。从用这些化合物处理过的细胞释放的MHV的噬菌斑分析表明，SSB-HAG甲苯磺酸盐可能抑制病毒感染的细胞中病毒RNA的转录。对两个子集的定量构效关系（QSAR）分析表明，抑制活性与电子和亲脂性参数密切相关。根据对这些新化合物的抑制活性和QSAR分析，对甲苯磺酸SSB-HAG甲苯磺酸盐抗冠状病毒感染的抗病毒活性的结构要求非常严格。

  DOI：

  10.1021/jm00164a023
• 作为产物：
  描述：

  2-(氯甲基)吡啶-3-醇盐酸盐 在 水 作用下， 以41%的产率得到3-羟基吡啶-2-甲醇
  参考文献：
  名称：

  Gilchrist, Thomas L.; Iskander, George M.; Yagoub, Ahmed K., Journal of the Chemical Society. Perkin transactions I, 1985, p. 2769 - 2774

  摘要：

  DOI：

文献信息

• MACROCYCLES AS PDE1 INHIBITORS
  申请人：H. Lundbeck A/S

  公开号：US20190185489A1

  公开（公告）日：2019-06-20

  The present invention provides macrocycles of formula (I) as PDE1 inhibitors and their use as a medicament, in particular for the treatment of neurodegenerative disorders and psychiatric disorders.

  本发明提供了式(I)的大环化合物作为PDE1抑制剂，并将其用作药物，特别用于治疗神经退行性疾病和精神疾病。
• [EN] AMINOQUINAZOLINE DERIVATIVES AND THEIR SALTS AND METHODS OF USE<br/>[FR] DÉRIVÉS D'AMINOQUINAZOLINE ET LEURS SELS ET PROCÉDÉS D'UTILISATION
  申请人：SUNSHINE LAKE PHARMA CO LTD

  公开号：WO2013071697A1

  公开（公告）日：2013-05-23

  The present invention relates to the field of medicine. Provided herein are aminoquinazoline derivatives, their salts and pharmaceutical formulations useful in modulating the protein tyrosine kinase activity, and in modulating inter-and/or intra-cellular signaling. Also provided herein are pharmaceutically acceptable compositions comprising the aminoquinazoline compounds and methods of using the compositions in the treatment of hyperproliferative disorders in mammals, especially humans.

  本发明涉及医学领域。本文提供了氨基喹唑啉衍生物、其盐和药物配方，用于调节蛋白酪氨酸激酶活性，以及调节细胞间和/或细胞内信号传导。本文还提供了包含氨基喹唑啉化合物的药用可接受组合物，以及使用这些组合物治疗哺乳动物，特别是人类的增生性疾病的方法。
• AMINOQUINAZOLINE DERIVATIVES AND THEIR SALTS AND METHODS OF USE
  申请人：SUNSHINE LAKE PHARMA CO., LTD.

  公开号：US20140228361A1

  公开（公告）日：2014-08-14

  The present invention relates to the field of medicine. Provided herein are aminoquinazoline derivatives, their salts and pharmaceutical formulations useful in modulating the protein tyrosine kinase activity, and in modulating inter- and/or intra-cellular signaling. Also provided herein are pharmaceutically acceptable compositions comprising the aminoquinazoline compounds and methods of using the compositions in the treatment of hyperproliferative disorders in mammals, especially humans.

  本发明涉及医学领域。本文提供了氨基喹唑啉衍生物，其盐和药物配方在调节蛋白酪氨酸激酶活性以及调节细胞间和/或细胞内信号传导方面具有用处。本文还提供了包含氨基喹唑啉化合物的药用可接受组合物，以及在治疗哺乳动物，特别是人类的增生性疾病中使用这些组合物的方法。
• Electrochemical reduction of pristinamycin IA and related streptogramins in aqueous acidic medium.
  作者：M. Largeron、M. Vuilhorgne、I.Le Potier、N. Auzeil、E. Bacqué、J.M. Paris、M.B. Fleury

  DOI：10.1016/s0040-4020(01)80650-5

  日期：1994.1

  The electrochemical reduction of the picolinoyl residue of pristinamycin IA and related streptogramins was performed at a mercury cathode, in aqueo

  在水溶液中的汞阴极上，对保霉素A和相关链霉菌素的吡啶啉酰残基进行电化学还原。
• PYRIDO [4,3-d] PYRIMIDIN-4 (3H) -ONE DERIVATIVES AS CALCIUM RECEPTOR ANTAGONISTS
  申请人：Didiuk T. Mary

  公开号：US20080085887A1

  公开（公告）日：2008-04-10

  The present invention is directed to novel pyrido[4,3-d]pyrimidin-4(3H)-one derivatives and pharmaceutically acceptable salts thereof of structural formula I wherein the variables R 1 , R 2 , R 3 , R 4 and R 5 are as described herein. Also provided are pharmaceutical compositions comprising the compounds of formula I as well as methods of treatment employing compounds of formula I to treat a disease or disorder characterized by abnormal bone or mineral homeostasis such as hypoparathyroidism, osteoporosis, osteopenia, periodontal disease, Paget's disease, bone fracture, osteoarthritis, rheumatoid arthritis, and humoral hypercalcemia of malignancy.

  本发明涉及新型的吡啶[4,3-d]嘧啶-4(3H)-酮衍生物及其药用可接受的盐，其结构公式为I，其中变量R1、R2、R3、R4和R5如本文所述。还提供了包含公式I化合物的药物组合物，以及使用公式I化合物治疗由异常骨骼或矿物质稳态特征性疾病或失调的方法，例如低甲状旁腺功能症、骨质疏松症、骨量减少、牙周病、佩吉特病、骨折、骨关节炎、类风湿性关节炎和恶性体液性高钙血症。

表征谱图