5,7-二甲基吡唑并[1,5-a]嘧啶-2-醇 | 26911-66-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡唑并嘧啶类
• 中文名称: 5,7-二甲基吡唑并[1,5-a]嘧啶-2-醇
• 英文名称: 2-oxo-5,7-dimethyl-1,2-dihydro-pyrazolo<1,5-a>pyrimidine
• 英文别名: 5,7-dimethyl-2-oxo-1,2-dihydropyrazolo<1,5-a>pyrimidine；5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one；5,7-Dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-on；2-Oxo-5,7-dimethyl-1,2-dihydropyrazolo<1,5-a>pyrimidin；5,7-Dimethylpyrazolo[1,5-a]pyrimidin-2-ol；5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one
• CAS: 26911-66-0
• 化学式: C₈H₉N₃O
• mdl: MFCD00501928
• 分子量: 163.179
• InChiKey: GTMSGUGXMUVWIS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  44.7
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2933990090

SDS

Material Safety Data Sheet

---

Section 1. Identification of the substance
Product Name: 5,7-Dimethylpyrazolo[1,5-a]pyrimidin-2-ol
Synonyms:

---

Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

---

Section 3. Composition/information on ingredients.
Ingredient name: 5,7-Dimethylpyrazolo[1,5-a]pyrimidin-2-ol
CAS number: 26911-66-0

---

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.

---

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.

---

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.

---

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:

---

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.

---

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: C8H9N3O
Molecular weight: 163.2

---

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.

---

Section 11. Toxicological information
No data.

---

Section 12. Ecological information
No data.

---

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.

---

Section 14. Transportation information
Non-harzardous for air and ground transportation.

---

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.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  5,7-二甲基吡唑并[1,5-a]嘧啶-2-醇 在 氢氧化钾 作用下， 反应 40.0h， 以15%的产率得到4,6-二甲基-1,2-二氢-3H-吡唑并[3,4-b]吡啶-3-酮
  参考文献：
  名称：

  Balicki, Roman, Polish Journal of Chemistry, 1983, vol. 57, # 10-12, p. 1377 - 1380

  摘要：

  DOI：
• 作为产物：
  描述：

  4-(cyanoacetyl-hydrazono)-pentan-2-one 在 sodium hydroxide 作用下， 生成 5,7-二甲基吡唑并[1,5-a]嘧啶-2-醇
  参考文献：
  名称：

  Schmidt et al., Angewandte Chemie, 1958, vol. 70, p. 344

  摘要：

  DOI：

文献信息

• Pyrazolopyrimidine and pyrimidinyl bisphosphonic esters as
  申请人：The Upjohn Company

  公开号：US05397774A1

  公开（公告）日：1995-03-14

  Compounds useful in the treatment of inflammation structurally represented as ##STR1## wherein X is O or S and the R groups are as herein defined. The compounds are useful as anti-inflammatory and anti-arthritic agents without inhibiting prostaglandin synthesis.

  在治疗炎症中有用的化合物结构表示为##STR1## 其中 X 是 O 或 S，R 基团如此处定义。这些化合物可用作抗炎和抗关节炎药物，而不抑制前列腺素合成。
• Sulfonylurea compounds and herbicidal use
  申请人：Takeda Chemical Industries, Ltd.

  公开号：US05017212A1

  公开（公告）日：1991-05-21

  A compound of the general formula: ##STR1## wherein Q is a condensed heterocyclic group having an N atom in the bridgehead which may be substituted, W is O or S, R.sub.1 and R.sub.2 each are an alkyl group, an alkoxy group or halogen and Z is CH or N, and a salt thereof, which is useful as a herbicide.

  一种化合物的一般式为：##STR1## 其中Q是具有可以被取代的桥头处的N原子的紧凑杂环基团，W是O或S，R.sub.1和R.sub.2分别是烷基，烷氧基或卤素，Z是CH或N，以及其盐，可用作除草剂。
• Sulfonylurea compounds, their production and herbicidal use
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP0238070A2

  公开（公告）日：1987-09-23

  A compound of the general formula: wherein Q is a condensed heterocyclic group having N atom in the bridgehead which may substituted, W is 0 or S, R1 and R2 each are an alkyl group, an alkoxy group or halogen and z is CH or N, and a salt thereof, which is useful as herbicide.

  一种通式为：其中 Q 是桥头含有 N 原子的缩合杂环基团，可被取代；W 是 0 或 S；R1 和 R2 各为烷基、烷氧基或卤素；z 是 CH 或 N 的化合物及其盐，可用作除草剂。
• Pyrazolopyrimidine and pyrimidinyl bisphosphonic esters as anti-inflammatories
  申请人：THE UPJOHN COMPANY

  公开号：EP0521622A1

  公开（公告）日：1993-01-07

  Compounds useful in the treatment of inflammation structurally represented as wherein X is O or S and the R groups are as herein defined. The compounds are useful as anti-inflammatory and anti-arthritic agents without inhibiting prostaglandin synthesis.

  有助于治疗炎症的化合物，其结构形式为 其中 X 是 O 或 S，R 基团如本文所定义。这些化合物可用作抗炎和抗关节炎药物，但不会抑制前列腺素的合成。
• Verfahren zur Herstellung von Vinylphosphonsäuren
  申请人：HOECHST AKTIENGESELLSCHAFT

  公开号：EP0685484A2

  公开（公告）日：1995-12-06

  Die vorliegende Erfindung betrifft ein Verfahren zur Herstellung von Vinylphosphonsäuren der allgemeinen Formel worin m für eine ganze Zahl von 1 bis 20 steht, indem man 2-Chlorethylphosphonsäuren der allgemeinen Formel worin n eine ganze Zahl gleich oder kleiner als m darstellt, gegebenenfalls in Form einer Lösung in Anwesenheit oder Abwesenheit eines Katalysators auf eine Temperatur von 180 bis 350°C erhitzt und unter Atmosphärendruck oder reduziertem Druck Chlorwasserstoff und gegebenenfalls Wasser abspaltet und gegebenenfalls die Vinylphosphonsäuren der Formel (I) hydrolysiert.

  本发明涉及一种通式乙烯基膦酸的制备方法 其中 m 为 1 至 20 的整数，通过将通式为 2-氯乙基膦酸的乙烯基膦酸反应 其中 n 为等于或小于 m 的整数，可选择在有催化剂或无催化剂的情况下以溶液的形式进行，反应温度为 180 至 350°C，在常压或减压下除去氯化氢和水，然后选择将 式（I）的乙烯基膦酸水解。