2-甲氧基-5-甲基烟腈 | 149379-73-7

• 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: 2-甲氧基-5-甲基烟腈
• 英文名称: 2-methoxy-5-methylpyridine-3-carbonitrile
• 英文别名: 2-Methoxy-5-methylnicotinonitrile
• CAS: 149379-73-7
• 化学式: C₈H₈N₂O
• mdl: MFCD13563068
• 分子量: 148.164
• InChiKey: CZKDMJBSPOUACB-UHFFFAOYSA-N

物化性质

• 沸点：
  274.2±35.0 °C(Predicted)
• 密度：
  1.12±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 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

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-Methoxy-5-methylnicotinonitrile
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: 2-Methoxy-5-methylnicotinonitrile
CAS number: 149379-73-7

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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: C8H8N2O
Molecular weight: 148.2

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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：

  2-甲氧基-5-甲基烟腈 在 磷酸 、 吡啶溴化氢盐 、 三溴氧磷 作用下， 以 苯 为溶剂， 反应 96.0h， 以60%的产率得到2-溴-5-甲基吡啶-3-腈
  参考文献：
  名称：

  Victory, P.; Borrell, J. I.; Castejon, P., Anales de Quimica, 1993, vol. 89, p. 625 - 628

  摘要：

  DOI：
• 作为产物：
  描述：

  2-甲基丙烯醛 、 丙二腈 在 sodium methylate 作用下， 生成 2-甲氧基-5-甲基烟腈 、 2-氨基-5-甲基苯-1,3-二腈
  参考文献：
  名称：

  Victory, Pedro; Borrell, Jose I.; Vidal-Ferran, Anton, Heterocycles, 1993, vol. 36, # 4, p. 769 - 776

  摘要：

  DOI：

文献信息

• Substituted 2-(het)arylimidazolylcarboxyamides as pesticides
  申请人：Bayer CropScience Aktiengesellschaft

  公开号：US20190047982A1

  公开（公告）日：2019-02-14

  The present invention relates to compounds of the general formula (I) in which Q, V, T, W, X, Y and A have the meanings given in the description—and to their use for controlling animal pests.

  本发明涉及一般式（I）中的化合物，其中Q、V、T、W、X、Y和A具有描述中给定的含义，以及它们用于控制动物害虫的用途。
• [EN] PYRAZOLOPYRIDINE DERIVATIVES, PREPARATION PROCESS THEREFOR AND THERAPEUTIC USE THEREOF<br/>[FR] DÉRIVÉS DE PYRAZOLOPYRIDINE, PROCÉDÉ D'ÉLABORATION DE CES DÉRIVÉS, ET UTILISATION THÉRAPEUTIQUE DE CEUX-CI
  申请人：SANOFI SA

  公开号：WO2013087744A1

  公开（公告）日：2013-06-20

  The invention relates to FGF-inhibiting pyrazolopyrimidine derivatives of general formula (I) to a process for preparing them and to the therapeutic use thereof.

  这项发明涉及一般式(I)的FGF抑制嘧啶吡唑衍生物，涉及制备它们的方法以及它们的治疗用途。
• [EN] PYRAZOLOPYRIDINE DERIVATIVES FOR USE IN THE TREATMENT OF BLADDER CANCER<br/>[FR] DÉRIVÉS DE PYRAZOLOPYRIDINE À UTILISER DANS LE TRAITEMENT DU CANCER DE LA VESSIE
  申请人：SANOFI SA

  公开号：WO2014198942A1

  公开（公告）日：2014-12-18

  The invention relates to the use of compounds corresponding to formula (I), or a pharmaceutically acceptable salt thereof, for preparing a medicament for the treatment of bladder cancer.

  该发明涉及使用与式（I）对应的化合物，或其药学上可接受的盐，用于制备治疗膀胱癌的药物。
• Pyrazolopyridine Derivatives, Preparation Process Therefor And Therapeutic Use Thereof
  申请人：SANOFI

  公开号：US20140350006A1

  公开（公告）日：2014-11-27

  The invention relates to FGF-inhibiting pyrazolopyrimidine derivatives of general formula (I) to a process for preparing them and to the therapeutic use thereof.

  本发明涉及一种通式（I）的FGF抑制的吡唑并嘧啶衍生物，以及其制备方法和治疗用途。
• 1,2-DISUBSTITUTED HETEROCYCLIC COMPOUNDS
  申请人：FORUM Pharmaceuticals Inc.

  公开号：US20150274706A1

  公开（公告）日：2015-10-01

  1,2-disubstituted heterocyclic compounds which are inhibitors of phosphodiesterase 10 are described. Also described are processes, pharmaceutical compositions, pharmaceutical preparations and pharmaceutical use of the compounds in the treatment of mammals, including human(s) for central nervous system (CNS) disorders and other disorders which may affect CNS function. Among the disorders which may be treated are neurological, neurodegenerative and psychiatric disorders including, but not limited to, those associated with cognitive deficits or schizophrenic symptoms.

  本文描述了抑制磷酸二酯酶10的1,2-二取代杂环化合物。同时还描述了该化合物的制备方法、制药组合物、制药制剂以及在治疗哺乳动物，包括人类的中枢神经系统（CNS）疾病和其他可能影响CNS功能的疾病中的制药用途。这些疾病包括但不限于与认知缺陷或精神分裂症状相关的神经、神经退行性和精神疾病。