3-氰基-2-(N-丁氨基)吡啶 | 74611-50-0

• 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-氰基-2-(N-丁氨基)吡啶
• 英文名称: 2-(butylamino)pyridine-3-carbonitrile
• 英文别名: 2-{Butylamino}pyridine-3-carbonitrile；2-(Butylamino)nicotinonitrile
• CAS: 74611-50-0
• 化学式: C₁₀H₁₃N₃
• mdl: MFCD08460989
• 分子量: 175.233
• InChiKey: DZVGEWIXPIPSSJ-UHFFFAOYSA-N

物化性质

• 沸点：
  323.6±27.0 °C(Predicted)
• 密度：
  1.05±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  48.7
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2933399090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 3-Cyano-2-butylaminopyridine
Synonyms: 2-(Butylamino)nicotinonitrile

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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-Cyano-2-butylaminopyridine
CAS number: 74611-50-0

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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: C10H13N3
Molecular weight: 175.2

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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：

  3-氰基-2-(N-丁氨基)吡啶 在 盐酸 作用下， 反应 22.5h， 生成 1-Butylpyrido[2,3-d]pyrimidine-2,4-dione
  参考文献：
  名称：

  新合成1 H，3 H吡啶[2,3- d ]嘧啶二酮-2,4

  摘要：

  Danset等人在《新物理原理》和《新物理》上发表了吡啶吡啶[2,3- d ]嘧啶二酮-2,4单或双歧的化学书。daccess-ods.un.org daccess-ods.un.org

  DOI：

  10.1002/jhet.5570170206
• 作为产物：
  描述：

  2-氯-3-氰基吡啶 、 正丁胺 反应 1.0h， 以70%的产率得到3-氰基-2-(N-丁氨基)吡啶
  参考文献：
  名称：

  新合成1 H，3 H吡啶[2,3- d ]嘧啶二酮-2,4

  摘要：

  Danset等人在《新物理原理》和《新物理》上发表了吡啶吡啶[2,3- d ]嘧啶二酮-2,4单或双歧的化学书。daccess-ods.un.org daccess-ods.un.org

  DOI：

  10.1002/jhet.5570170206

文献信息

• Angiotensin II receptor antagonists
  申请人：Abbott Laboratories

  公开号：US05250548A1

  公开（公告）日：1993-10-05

  Compounds are disclosed having the formula: ##STR1## The compounds of the invention are angiotensin II receptor antagonists.

  本发明揭示了具有以下公式的化合物：##STR1## 本发明的化合物是肾素血管紧张素系统II型受体拮抗剂。
• BRUNEL S.; MONTGINOUL C.; TORREILLES E.; CIRAL L., J. HETEROCYCL. CHEM., 1980, 17, NO 2, 235-240
  作者：BRUNEL S.、 MONTGINOUL C.、 TORREILLES E.、 CIRAL L.

  DOI：——

  日期：——
• US5250548A
  申请人：——

  公开号：US5250548A

  公开（公告）日：1993-10-05
• Synthese de nouvelles 1<i>H</i>,3<i>H</i>pyrido[2,3-<i>d</i>] pyrimidinediones-2,4
  作者：Suzanne Brunel、Claude Montginoul、Eliane Torreilles、Louis Giral

  DOI：10.1002/jhet.5570170206

  日期：1980.3

  Dans cet article les auteurs décrivent la synthèse et les propriétés physico-chimiques de nouvelles pyrido[2,3-d]pyrimidinediones-2,4 mono ou disubstituées.

  Danset等人在《新物理原理》和《新物理》上发表了吡啶吡啶[2,3- d ]嘧啶二酮-2,4单或双歧的化学书。daccess-ods.un.org daccess-ods.un.org
• 2-(Alkylamino)nicotinic acid and analogs. Potent angiotensin II antagonists
  作者：Martin Winn、Biswanath De、Thomas M. Zydowsky、Robert J. Altenbach、Fatima Z. Basha、Steven A. Boyd、Michael E. Brune、Steven A. Buckner、DeAnne Crowell

  DOI：10.1021/jm00070a012

  日期：1993.9

  potent angiotensin II antagonists. In the pyrimidine carboxylic acid series (W = CR, X = N, Y = CH, Z = COOH), compounds with an alkyl group (R') on the exocyclic nitrogen were much more potent than compounds with an alkyl group (R) on the heterocyclic ring. The corresponding pyridine, pyridazine, pyrazine, and 1,2,4-triazine carboxylic acids also showed potent in vitro angiotensin II antagonism. The pyridine

  人们发现，通过-CH2-NR'-连接（1）连接到联苯四唑的一系列吡啶和其他六元环杂环是有效的血管紧张素II拮抗剂。在嘧啶羧酸系列中（W = CR，X = N，Y = CH，Z = COOH），环外氮上带有烷基（R'）的化合物比带有烷基（R）的化合物更有效在杂环上。相应的吡啶，哒嗪，吡嗪和1,2,4-三嗪羧酸也显示出有效的体外血管紧张素II拮抗作用。吡啶（W，X，Y = CH，Z = COOH，R'= n-C3H7）具有很强的体外活性（pA2 = 10.10，兔主动脉，Ki = 0.61 nM，大鼠肝脏中的受体结合）以及出色的口服降压活性和生物利用度。