2-环丙基-4-二甲氧基甲基嘧啶 | 914348-07-5

• 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: 2-环丙基-4-二甲氧基甲基嘧啶
• 中文别名: 2-环丙基-4-二甲氧基甲基-嘧啶
• 英文名称: 2-cyclopropyl-4-(dimethoxymethyl)pyrimidine
• CAS: 914348-07-5
• 化学式: C₁₀H₁₄N₂O₂
• mdl: MFCD05662687
• 分子量: 194.233
• InChiKey: BAXOPTJKEYXLCH-UHFFFAOYSA-N

物化性质

• 沸点：
  254.5±25.0 °C(Predicted)
• 密度：
  1.165±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  44.2
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2933599090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
2-Cyclopropyl-4-(dimethoxymethyl)pyrimidine
Product Name:
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H315: Causes skin irritation
H319: Causes serious eye irritation
H335: May cause respiratory irritation
P261: Avoid breathing dust/fume/gas/mist/vapours/spray
Wear protective gloves/protective clothing/eye protection/face protection
P280:
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing
P304+P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing
P405: Store locked up

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Section 3. Composition/information on ingredients.
2-Cyclopropyl-4-(dimethoxymethyl)pyrimidine
Ingredient name:
CAS number: 914348-07-5

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Section 4. First aid measures
Immediately wash skin with copious amounts of water for at least 15 minutes while removing
Skin contact:
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.
Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.
Ingestion:

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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, refrigerated.

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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
Not specified
Appearance:
Boiling point: No data
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C10H14N2O2
Molecular weight: 194.2

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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-环丙基-4-二甲氧基甲基嘧啶 在 盐酸 、 phosphomolybdic acid 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 0.33h， 生成 dimethyl (benzo[d]thiazol-5-ylamino)(2-cyclopropylpyrimidin-4-yl)methylphosphonate
  参考文献：
  名称：

  磷钼酸促进了Kabachnik-Fields反应：由2-环丙基嘧啶-4-甲醛有效地一锅法合成α-氨基膦酸酯

  摘要：

  由2-环丙基嘧啶-4-甲醛，各种苯胺/苯并噻唑胺和不同亚磷酸酯的三组分缩合反应以一种简单有效的方法合成了2-环丙基嘧啶-4-基芳基/苯并噻唑衍生的α-氨基膦酸酯。室温下，二氯甲烷中的0.5 mol％磷钼酸（PMA，H 3 PMo 12 O 40）具有良好的收率，且反应时间短。

  DOI：

  10.1016/j.tetlet.2014.04.053
• 作为产物：
  描述：

  4-（二甲氨基）-1，1-二甲氧基-3-丙烯-1-酮 、 环丙甲脒盐酸盐 在 三乙胺 作用下， 以 乙醇 为溶剂， 生成 2-环丙基-4-二甲氧基甲基嘧啶
  参考文献：
  名称：

  磷钼酸促进了Kabachnik-Fields反应：由2-环丙基嘧啶-4-甲醛有效地一锅法合成α-氨基膦酸酯

  摘要：

  由2-环丙基嘧啶-4-甲醛，各种苯胺/苯并噻唑胺和不同亚磷酸酯的三组分缩合反应以一种简单有效的方法合成了2-环丙基嘧啶-4-基芳基/苯并噻唑衍生的α-氨基膦酸酯。室温下，二氯甲烷中的0.5 mol％磷钼酸（PMA，H 3 PMo 12 O 40）具有良好的收率，且反应时间短。

  DOI：

  10.1016/j.tetlet.2014.04.053

文献信息

• [EN] PYRIMIDINYLPYRAZOLES AS TGF-BETA INHIBITORS<br/>[FR] PYRIMIDINYLPYRAZOLES UTILISES COMME INHIBITEURS DE TGF-BETA
  申请人：BIOGEN IDEC INC

  公开号：WO2006026305A1

  公开（公告）日：2006-03-09

  The invention is based on the discovery that compounds of formula (I) possess high affinity for Alk 5 and/or Alk 4, and can be useful as antagonists thereof for preventing and/or treating numerous diseases, including fibrotic disorders. The invention features a compound of formula (I) and uses thereof: formula (I).

  这项发明是基于发现，式(I)的化合物具有与Alk 5和/或Alk 4的高亲和力，并可用作其拮抗剂，用于预防和/或治疗包括纤维化疾病在内的许多疾病。该发明涉及式(I)的化合物及其用途：式(I)。
• Pyrimidinylpyrazoles as Tgf-Beta Inhibitors
  申请人：Lee Wen-Cherng

  公开号：US20080171755A1

  公开（公告）日：2008-07-17

  The invention is based on the discovery that compounds of formula (I) possess high affinity for Alk 5 and/or Alk 4, and can be useful as antagonists thereof for preventing and/or treating numerous diseases, including fibrotic disorders. The invention features a compound of formula (I) and uses thereof: formula (I).

  该发明基于发现，公式（I）化合物具有高亲和力与Alk 5和/或Alk 4，并可用作其拮抗剂，用于预防和/或治疗多种疾病，包括纤维化疾病。该发明涉及公式（I）的化合物及其用途：公式（I）。
• THIENOPYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM
  申请人：LES LABORATOIRES SERVIER

  公开号：US20150175623A1

  公开（公告）日：2015-06-25

  Compounds of formula (I): wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 12 , X, A and n are as defined in the description. Medicinal products containing the same which are useful in treating pathologies involving a deficit in apoptosis, such as cancer, auto-immune diseases, and diseases of the immune system.

  式(I)的化合物，其中R1、R2、R3、R4、R5、R6、R7、R12、X、A和n的定义如说明中所述。含有该化合物的药物可用于治疗涉及凋亡缺陷的病理学，如癌症、自身免疫性疾病和免疫系统疾病。
• Thienopyrimidine derivatives, a process for their preparation and pharmaceutical compositions containing them
  申请人：LES LABORATOIRES SERVIER

  公开号：US10278972B2

  公开（公告）日：2019-05-07

  Compounds of formula (I): wherein R1, R2, R3, R4, R5, R6, R7, R12, X, A and n are as defined in the description. Medicinal products containing the same which are useful in treating pathologies involving a deficit in apoptosis, such as cancer, auto-immune diseases, and diseases of the immune system.

  式(I)化合物： 其中 R1、R2、R3、R4、R5、R6、R7、R12、X、A 和 n 如说明中所定义。 含有相同成分的药物产品，可用于治疗涉及细胞凋亡缺陷的病症，如癌症、自身免疫性疾病和免疫系统疾病。
• New thienopyrimidine derivatives, a process for their preparation and pharmaceutical compositions containing them
  申请人：Les Laboratoires Servier

  公开号：EP2886545B1

  公开（公告）日：2016-06-29