3-羟基-4-甲基吡啶 | 1121-19-3

• 物质功能分类: 医药中间体 - 杂环化合物 - 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-4-甲基吡啶
• 中文别名: 4-甲基-3-吡啶醇
• 英文名称: 4-methylpyridin-3-ol
• 英文别名: 3-hydroxy-4-methylpyridine；4-methyl-3-hydroxypyridine
• CAS: 1121-19-3
• 化学式: C₆H₇NO
• 分子量: 109.128
• InChiKey: WYOZXMYWGIJYSQ-UHFFFAOYSA-N

物化性质

• 熔点：
  118-120 °C
• 沸点：
  285-290 °C
• 密度：
  1.120±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  33.1
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xn
• 危险类别码：
  R22
• 海关编码：
  2933399090
• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H302
• 储存条件：
  室温且干燥

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 3-Hydroxy-4-methylpyridine
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: 3-Hydroxy-4-methylpyridine
CAS number: 1121-19-3

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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: C6H7NO
Molecular weight: 109.1

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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：

  3-羟基-4-甲基吡啶 在 硫酸 、 硝酸 作用下， 生成 3-羟基-4-甲基-2-硝基吡啶
  参考文献：
  名称：

  氧杂双环辛烷连接的1,5-萘吡啶基新型细菌拓扑异构酶抑制剂的吡ido嗪酮取代的RHS类似物作为广谱抗菌剂的结构活性关系（第6部分）

  摘要：

  氧杂双环辛烷连接的1，5-萘啶基-吡啶并恶嗪酮是新型广谱细菌拓扑异构酶抑制剂（NBTI），其靶向细菌DNA促旋酶和拓扑异构酶IV的位置不同于喹诺酮。由于对已知抗生素缺乏交叉耐药性，因此它们提供了抵抗耐药细菌的绝好机会。吡ido嗪酮部分的结构活性关系在该信中描述。已经描述了在吡啶并嗪嗪酮部分的C-3，C-4和C-7处被卤素，烷基和甲氧基取代的NBTI的化学合成和活性。另外，已经报道了连接子NH质子的取代及其转化为AM-8085和AM-8191的酰胺类似物。吡ido并嗪酮部分的C-3处的氟，氯和甲基基团保留了效价和光谱。在金黄色葡萄球菌感染的鼠菌血症模型中，与母体AM-8085相比，其浓度为50 3.9 mg / kg）。吡ido并嗪酮单元的C-3甚至不容许极性适度的极性（例如甲氧基）。当CH 2在接头位置8上时，接头的碱性和NH基团对于活性很重要。然而，具有7位NH或N-甲基基团的酰胺（具有

  DOI：

  10.1016/j.bmcl.2015.06.057
• 作为产物：
  描述：

  4-甲基吡啶氧化物 在 水 、 sodium hydroxide 作用下， 以 乙醇 为溶剂， 生成 3-羟基-4-甲基吡啶
  参考文献：
  名称：

  氧杂双环辛烷连接的1,5-萘吡啶基新型细菌拓扑异构酶抑制剂的吡ido嗪酮取代的RHS类似物作为广谱抗菌剂的结构活性关系（第6部分）

  摘要：

  氧杂双环辛烷连接的1，5-萘啶基-吡啶并恶嗪酮是新型广谱细菌拓扑异构酶抑制剂（NBTI），其靶向细菌DNA促旋酶和拓扑异构酶IV的位置不同于喹诺酮。由于对已知抗生素缺乏交叉耐药性，因此它们提供了抵抗耐药细菌的绝好机会。吡ido嗪酮部分的结构活性关系在该信中描述。已经描述了在吡啶并嗪嗪酮部分的C-3，C-4和C-7处被卤素，烷基和甲氧基取代的NBTI的化学合成和活性。另外，已经报道了连接子NH质子的取代及其转化为AM-8085和AM-8191的酰胺类似物。吡ido并嗪酮部分的C-3处的氟，氯和甲基基团保留了效价和光谱。在金黄色葡萄球菌感染的鼠菌血症模型中，与母体AM-8085相比，其浓度为50 3.9 mg / kg）。吡ido并嗪酮单元的C-3甚至不容许极性适度的极性（例如甲氧基）。当CH 2在接头位置8上时，接头的碱性和NH基团对于活性很重要。然而，具有7位NH或N-甲基基团的酰胺（具有

  DOI：

  10.1016/j.bmcl.2015.06.057

文献信息

• CNS active compounds
  申请人：E. R. Squibb & Sons, Inc.

  公开号：US04022897A1

  公开（公告）日：1977-05-10

  Compounds of the formula ##STR1## wherein R may be hydrogen or a straight or branched chain alkyl radical of from 1 to 10 carbon atoms, aryl of from 6 to 10 carbon atoms, or aralkyl of from 7 to 10 carbon atoms; Y may be hydrogen, alkyl of from 1 to 4 carbons, CF.sub.3, F, Cl, or Br; and Z may be hydrogen or as defined hereinafter. These compounds are useful as central nervous system stimulants or more specifically in enhancing performance or as mood elevators.

  式为##STR1##的化合物，其中R可以是氢或由1至10个碳原子的直链或支链烷基基团，由6至10个碳原子的芳基，或由7至10个碳原子的芳基烷基；Y可以是氢，由1至4个碳原子的烷基，CF.sub.3，F，Cl或Br；Z可以是氢或如下所定义的。这些化合物可用作中枢神经系统兴奋剂，更具体地用于增强表现或作为情绪提升剂。
• [EN] COMPOUNDS USEFUL AS ANTIBIOTIC TOLERANCE INHIBITORS<br/>[FR] COMPOSÉS UTILISÉS EN TANT QU'INHIBITEURS DE LA TOLÉRANCE AUX ANTIBIOTIQUES
  申请人：GEN HOSPITAL CORP

  公开号：WO2014176258A1

  公开（公告）日：2014-10-30

  The disclosure provides compounds and pharmaceutical compositions of the compounds useful for treating chronic and acute bacterial infections. Certain of the compounds are compounds and salts of general Formula VIII Certain compounds of this disclosure are MvfR inhibitors. MvfR inhibitors reduce the formation of antibiotic tolerant bacterial strains and are useful for treating Gram-negative bacterial infections and reducing the virulence of Pseudomonas aeruginosa. Methods of treating bacterial infections in a patient, including Pseudomonas aeruginosa infections, are also provided by the disclosure.

  该披露提供了化合物和这些化合物的药物组合物，用于治疗慢性和急性细菌感染。该披露中的某些化合物是一般式VIII的化合物和盐。该披露中的某些化合物是MvfR抑制剂。MvfR抑制剂减少抗生素耐药细菌菌株的形成，对治疗革兰氏阴性细菌感染和减少铜绿假单胞菌的毒力有用。该披露还提供了治疗患者细菌感染的方法，包括铜绿假单胞菌感染。
• THIAZOLIDINONE COMPOUNDS AND USE THEREOF
  申请人：National Health Research Institutes

  公开号：US20170253569A1

  公开（公告）日：2017-09-07

  A pharmaceutical composition containing a compound of Formula (I) for treating an opioid receptor-associated condition. Also disclosed is a method for treating an opioid receptor-associated condition using such a compound. Further disclosed are two sets of thiazolidinone compounds of formula (I): (i) compounds each having an enantiomeric excess greater than 90% and (ii) compounds each being substituted with deuterium.

  一种含有化合物（I）的药物组合物，用于治疗与阿片受体相关的疾病。还公开了一种使用这种化合物治疗阿片受体相关疾病的方法。进一步公开了两组式（I）的噻唑烷酮化合物：（i）每种化合物的对映体过量大于90%；（ii）每种化合物被氘取代。
• MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF
  申请人：Weinstein David S.

  公开号：US20090075995A1

  公开（公告）日：2009-03-19

  Novel non-steroidal compounds are provided which are useful in treating diseases associated with modulation of the glucocorticoid receptor, AP-1, and/or NF-κB activity, including inflammatory and immune diseases, having the structure of formula (I): an enantiomer, diastereomer, or tautomer thereof, or a prodrug ester thereof, or a pharmaceutically-acceptable salt thereof, in which: Z is heterocyclo or heteroaryl; A is a 5- to 8-membered carbocyclic ring or a 5- to 8-membered heterocyclic ring; B is a cycloalkyl, cycloalkenyl, aryl, heterocyclo, or heteroaryl ring, wherein each ring is fused to the A ring on adjacent atoms and optionally substituted by one to four groups which are the same or different and are independently selected from R 5 , R 6 , R 7 , and R 8 ; J 1 , J 2 , and J 3 are at each occurrence the same or different and are independently -A 1 QA 2 -; Q is a bond, O, S, S(O), or S(O) 2 ; A 1 and A 2 are the same or different and are at each occurrence independently selected from a bond, C 1-3 alkylene, substituted C 1-3 alkylene, C 2-4 alkenylene, and substituted C 2-4 alkenylene, provided that A 1 and A 2 are chosen so that ring A is a 5- to 8-membered carbocyclic or heterocyclic ring; R 1 to R 11 are as defined herein. Also provided are pharmaceutical compositions and methods of treating inflammatory- or immune-associated diseases and obesity and diabetes employing said compounds.

  提供了一系列新颖的非甾体化合物，这些化合物在治疗与糖皮质激素受体、AP-1和/或NF-κB活性调节相关的疾病中很有用，包括炎性和免疫疾病，具有以下结构式（I）： 其对应的光学异构体、对映异构体或互变异构体，或其前药酯，或其药用可接受盐，其中： Z是杂环或杂芳基； A是一个5至8成员的碳环或一个5至8成员的杂环； B是一个环烷基、环烯基、芳基、杂环或杂芳基环，其中每个环都与A环上的相邻原子融合，并且可以选择性地被一个到四个独立选自R5、R6、R7和R8的相同或不同的组取代； J1、J2和J3每次出现时相同或不同，独立地选自-A1QA2-；Q是键、O、S、S(O)或S(O)2；A1和A2相同或不同，每次出现时独立地选自键、C1-3烷基、取代的C1-3烷基、C2-4烯基和取代的C2-4烯基，前提是A1和A2的选择使得环A是一个5至8成员的碳环或杂环； R1至R11如本文所述定义。 还提供了使用这些化合物的药物组合物和治疗炎性疾病、免疫相关疾病、肥胖和糖尿病的方法。
• Intramolecular Pyridinium Oxide Cycloadditions: Systematic Study of Substitution, Diastereoselectivity, and Regioselectivity
  作者：Yi Lu、Patrick N. Dey、Christopher M. Beaudry

  DOI：10.1002/chem.202100115

  日期：2021.2.24

  Intramolecular pyridinium oxide cycloadditions form complex polycyclic nitrogenous architectures. The diastereoselectivity and regioselectivity of pyridinium oxide cycloadditions was systematically investigated for the first time using complex substrates. Predictably high levels of diastereoselectivity and regioselectivity are observed, which can be attributed to minimization of steric (syn‐pentane)

  分子内氧化吡啶鎓环加成反应形成复杂的多环含氮结构。首次使用复杂的底物系统地研究了吡啶鎓氧化物环加成反应的非对映选择性和区域选择性。可以预见的是高水平的非对映选择性和区域选择性的观察到，这可以归因于空间的最小化（顺式-戊烷）和扭转应变在产品。该反应在反应条件下是可逆的，并且相对于亲偶极子几何形状是立体定向的。