4-氨基-5-嘧啶羧酸乙酯 | 65195-35-9

• 物质功能分类: 医药中间体 - 杂环化合物 - 嘧啶类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 4-氨基-5-嘧啶羧酸乙酯
• 中文别名: 4-氨基嘧啶-5-甲酸乙酯
• 英文名称: ethyl 4-aminopyrimidine-5-carboxylate
• 英文别名: 4-Amino-5-ethoxycarbonyl-pyrimidin；4-Amino-pyrimidin-carbonsaeure-(5)-ethylester；4-amino-pyrimidine-5-carboxylic acid ethyl ester
• CAS: 65195-35-9
• 化学式: C₇H₉N₃O₂
• 分子量: 167.167
• InChiKey: OBBDJDIJXFWRJK-UHFFFAOYSA-N

物化性质

• 熔点：
  174-177 °C
• 沸点：
  304.0±22.0 °C(Predicted)
• 密度：
  1.261±0.06 g/cm3(Predicted)
• 溶解度：
  溶于甲醇/水；DMF、二甲基亚砜

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  78.1
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 海关编码：
  2933599090
• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H302

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: Ethyl 4-aminopyrimidine-5-carboxylate
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: Ethyl 4-aminopyrimidine-5-carboxylate
CAS number: 65195-35-9

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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.
Storage: Store in closed vessels.

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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
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C7H9N3O2
Molecular weight: 167.2

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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：

  4-氨基-5-嘧啶羧酸乙酯 在 三甲基铝 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 4-amino-N-phenylpyrimidine-5-carboxamide
  参考文献：
  名称：

  Compounds for modulating TRPV3 function

  摘要：

  本申请涉及化合物和治疗与TRPV3相关的疼痛和其他病症的方法。

  公开号：

  US09486455B2
• 作为产物：
  描述：

  2-乙硫基-4-氨基嘧啶-5-羧酸乙酯 在 三乙基硅烷 、 palladium 10% on activated carbon 作用下， 以 四氢呋喃 为溶剂， 反应 6.0h， 以93%的产率得到4-氨基-5-嘧啶羧酸乙酯
  参考文献：
  名称：

  杂环硫醚的还原断裂方法

  摘要：

  本发明描述了一种温和的，化学选择性的并且通常是高产率的用于还原性切割杂环硫醚的方法。合适的杂环在相对于环杂原子的2-位具有硫醚取代基。用与标准阮内镍条件不兼容的反应物（例如硫化物，砜和噻吩）证明了这种方便，直接的方法。另外，还原反应条件容许苄基酯，苄基酰胺和氨基甲酸苄酯。

  DOI：

  10.1021/ol2026813

文献信息

• Aryl-condensed 3-arylpridine compounds and use thereof for controlling pathogenic fungi
  申请人：Wagner Oliver

  公开号：US20060160811A1

  公开（公告）日：2006-07-20

  The present invention relates to bicyclic compounds of general formula I, in which X, Y independently of one another are N or C—R 4 ; n is 1, 2, 3, 4 or 5; R a is halogen, cyano, C 1 -C 6 -alkyl, C 1 -C 6 -alkoxy, C 1 -C 6 -haloalkyl, C 1 -C 6 -haloalkoxy, C 2 -C 6 -alkenyl, C 2 -C 6 -alkenyloxy or C(O)R 5 ; R 1 is halogen, cyano, C 1 -C 6 -alkyl, C 1 -C 6 -haloalkyl, C 2 -C 6 -alkenyl, C 2 -C 6 -alkynyl, C 3 -C 8 -cycloalkyl which is optionally mono- or polysubstituted by alkyl and/or halogen, C 5 -C 8 -cycloalkenyl which is optionally mono- or polysubstituted by alkyl and/or halogen, OR 6 , SR 6 or NR 7 R 8 ; R 2 is halogen, cyano, C 1 -C 6 -alkyl, C 1 -C 6 -haloalkyl, C 2 -C 6 -alkenyl, C 2 -C 6 -alkynyl, C 3 -C 8 -cycloalkyl which is optionally mono- or polysubstituted by alkyl and/or halogen, C 5 -C 8 -cycloalkenyl which is optionally mono- or polysubstituted by alkyl and/or halogen, OR 6 , SR 6 or NR 7 R 8 ; R 3 is hydrogen, C 1 -C 6 -alkyl, C 1 -C 6 -haloalkyl or C 3 -C 6 -cycloalkyl which is optionally mono- or polysubstituted by alkyl and/or halogen; and the agriculturally acceptable salts of compounds I, plant protection agents, containing at least one compound of general formula I and/or one agriculturally-acceptable salt of I and at least one liquid or solid carrier substance, as well as a method for controlling phytopathogenic fungi.

  本发明涉及通式I的二环化合物，其中X，Y分别独立地为N或C—R4; n为1、2、3、4或5；R为卤素、氰基、C1-C6烷基、C1-C6烷氧基、C1-C6卤代烷基、C1-C6卤代烷氧基、C2-C6烯基、C2-C6烯氧基或C（O）R5；R1为卤素、氰基、C1-C6烷基、C1-C6卤代烷基、C2-C6烯基、C2-C6炔基、C3-C8环烷基，其可以选择性地被烷基和/或卤素单或多取代，C5-C8环烯基，其可以选择性地被烷基和/或卤素单或多取代，OR6，SR6或NR7R8；R2为卤素、氰基、C1-C6烷基、C1-C6卤代烷基、C2-C6烯基、C2-C6炔基、C3-C8环烷基，其可以选择性地被烷基和/或卤素单或多取代，C5-C8环烯基，其可以选择性地被烷基和/或卤素单或多取代，OR6，SR6或NR7R8；R3为氢、C1-C6烷基、C1-C6卤代烷基或C3-C6环烷基，其可以选择性地被烷基和/或卤素单或多取代；以及通式I化合物的农业上可接受的盐、含有至少一种通式I的化合物和/或一种农业上可接受的I的盐和至少一种液体或固体载体物质的植物保护剂，以及一种控制植物病原真菌的方法。
• Compounds for Modulating TRPV3 Function
  申请人：Chong Jayhong A.

  公开号：US20110144135A1

  公开（公告）日：2011-06-16

  The present application relates to compounds and methods for treating pain and other conditions related to TRPV3.

  本申请涉及化合物和用于治疗与TRPV3相关的疼痛和其他病症的方法。
• Substituted quinazolin-4-one compounds for antagonizing TRPV3 function
  申请人：Hydra Biosciences, Inc.

  公开号：US07893260B2

  公开（公告）日：2011-02-22

  The present application relates to compounds and methods for treating pain and other conditions related to TRPV3. Suitable compounds include but are not limited to, for example, substituted quinazolin-4-ones of formula I.

  本申请涉及化合物和治疗与TRPV3相关的疼痛和其他状况的方法。适当的化合物包括但不限于公式I的取代的喹唑啉-4-酮。
• Substituted pyrimido 4.5-d pyrimidin-4-one compounds for modulating TRPV3 function
  申请人：Chong Jayhong A.

  公开号：US08552009B2

  公开（公告）日：2013-10-08

  The present application relates to compounds of Formula I as defined herein, and methods for treating pain and other conditions related to TRPV3.

  本申请涉及到公式I所定义的化合物，以及用于治疗与TRPV3相关的疼痛和其他病症的方法。
• COMPOUNDS FOR MODULATING TRPV3 FUNCTION
  申请人：HYDRA BIOSCIENCES, INC.

  公开号：US20140155417A1

  公开（公告）日：2014-06-05

  The present application relates to compounds and methods for treating pain and other conditions related to TRPV3.

  本申请涉及化合物和治疗与TRPV3相关的疼痛和其他疾病的方法。