7-氯喹啉-2,4(1氢,3氢)-二酮 | 13165-35-0

• 物质功能分类: 有机原料 - 酮类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 中文名称: 7-氯喹啉-2,4(1氢,3氢)-二酮
• 中文别名: 7-氯喹唑啉-2,4(1H,3H)-二酮；7-氯-1H-喹唑啉-2,4-二酮；7-氯喹唑啉-2,4-二酮；7-氯喹唑啉-(2,4)二酮
• 英文名称: 7-chloroquinazoline-2,4-dione
• 英文别名: 7-chloroquinazoline-2,4(1H,3H)-dione；7-chloro-1H-quinazoline-2,4-dione；7-chloro-2,4(1H,3H)-quinazolinedione；7-chloro-1,2,3,4-tetrahydro-quinazoline-2,4-dione
• CAS: 13165-35-0
• 化学式: C₈H₅ClN₂O₂
• 分子量: 196.593
• InChiKey: QEXAYZARVWHJJA-UHFFFAOYSA-N

物化性质

• 熔点：
  360-362℃
• 密度：
  1.475±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  58.2
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2933990090
• 危险性防范说明：
  P261,P280,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H332,H335
• 储存条件：
  存储条件：室温、密封、干燥

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 7-Chloro-1H-quinazoline-2,4-dione
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: 7-Chloro-1H-quinazoline-2,4-dione
CAS number: 13165-35-0

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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: C8H5ClN2O2
Molecular weight: 196.6

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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, hydrogen chloride.

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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：

  7-氯喹啉-2,4(1氢,3氢)-二酮 在 盐酸 、 硫酸 、 氨 、 硝酸 、 potassium carbonate 、 tin(ll) chloride 作用下， 以 N,N-二甲基甲酰胺 、 正丁醇 为溶剂， 反应 33.17h， 生成 6,7-Diamino-1,3-diethylquinazoline-2,4-dione
  参考文献：
  名称：

  Linear expanded xanthines

  摘要：

  DOI：

  10.1007/bf00810080
• 作为产物：
  描述：

  2-氨基-4-氯苯甲酸 在 盐酸 、 溶剂黄146 、 sodium hydroxide 作用下， 以 水 为溶剂， 反应 4.0h， 生成 7-氯喹啉-2,4(1氢,3氢)-二酮
  参考文献：
  名称：

  Eco-Efficient One-Pot Synthesis of Quinazoline-2,4(1<i>H</i>,3<i>H</i>)-diones at Room Temperature in Water

  摘要：

  开发了一种高效的一锅法合成喹嗪-2,4(1H,3H)-二酮。首先，邻氨基苯甲酸衍生物与氰酸钾反应生成相应的脲衍生物。然后，脲衍生物与氢氧化钠环化，得到苯乙烯脲的单钠盐。最后，通过盐酸处理获得所需产物，产率接近定量。这是一种环保高效的方法，因为所有反应都是在水中进行的，所需产物仅通过过滤获得。反应中只产生了水相滤液作为废物。我们将反应规模扩大到1千克起始材料，从而为化学和制药工业建立了一种绿色合成喹嗪-2,4(1H,3H)-二酮的替代方法。

  DOI：

  10.1248/cpb.c14-00264

文献信息

• OLIGONUCLEOTIDE
  申请人：Kyowa Hakko Kirin Co., Ltd.

  公开号：US20150376611A1

  公开（公告）日：2015-12-31

  The present invention provides an oligonucleotide having improved affinity for AGO2, and the like. The oligonucleotide has a nucleotide residue or a nucleoside residue represented by formula (I) wherein X 1 is an oxygen atom or the like, R 1 is formula (IIA) (wherein R 5A is halogen or the like, and R 6A is a hydrogen atom or the like) or formula (IVA) (wherein Y 3A is a nitrogen atom or the like, and Y 4A is CH or the like), or the like, R 2 is a hydrogen atom, hydroxy, halogen, or optionally substituted lower alkoxy, and R 3 is a hydrogen atom or the like} at the 5′ end thereof, and the nucleotide residue or the nucleoside residue binds to an adjacent nucleotide residue through the oxygen atom at position 3.

  本发明提供了一种具有改善对AGO2亲和力的寡核苷酸等。该寡核苷酸在其5'端具有由式(I)表示的核苷酸残基或核苷酸残基其中X 1 是氧原子或类似物，R 1 是式(IIA)（其中R 5A 是卤素或类似物，而R 6A 是氢原子或类似物）或式(IVA)（其中Y 3A 是氮原子或类似物，而Y 4A 是CH或类似物），或类似物，R 2 是氢原子、羟基、卤素或可选择地取代的较低烷氧基，而R 3 是氢原子或类似物}，并且该核苷酸残基或核苷酸残基通过位于位置3的氧原子与相邻核苷酸残基结合。
• QUINAZOLINONES AS PROLYL HYDROXYLASE INHIBITORS
  申请人：Bembenek Scott D.

  公开号：US20100204226A1

  公开（公告）日：2010-08-12

  Quinazolinone compounds of formula (I) are described, which are useful as prolyl hydroxylase inhibitors. Such compounds may be used in pharmaceutical compositions and methods for the treatment of disease states, disorders, and conditions mediated by prolyl hydroxylase activity. Thus, the compounds may be administered to treat, e.g., anemia, vascular disorders, metabolic disorders, and wound healing.

  公式（I）的喹唑啉酮化合物被描述为脯氨酸羟化酶抑制剂，这些化合物可用于制药组合物和治疗由脯氨酸羟化酶活性介导的疾病状态、紊乱和情况的方法。因此，这些化合物可用于治疗贫血、血管紊乱、代谢紊乱和伤口愈合等疾病。
• Carbon Dioxide Mediated Novel Synthesis of Quinazoline-2,4(1<i>H</i>,3<i>H</i>)-dione in Water
  作者：Kalidas B. Rasal、Ganapati D. Yadav

  DOI：10.1021/acs.oprd.6b00244

  日期：2016.12.16

  A novel, efficient, and scalable CO2 mediated synthesis of quinazoline-2,4(1H,3H)-dione was developed by a simple cyclization of 2-aminobenzonitrile with DMF in water as the solvent. This is the first report of its kind. DMF was used as the necessary carbon source in the synthesis of quinazoline-2,4(1H,3H)-dione. This synthetic protocol is very efficient; it gives >99% conversion with excellent selectivity

  一种新颖，有效，可扩展的CO 2介导的喹唑啉-2,4（1 H，3 H）-二酮的合成，是通过在水中以DMF为溶剂的2-氨基苄腈的简单环化而开发的。这是同类报告中的第一份。在合成喹唑啉-2,4（1 H，3 H）-二酮中，DMF被用作必要的碳源。这种合成协议非常有效；它具有> 99％的转化率，并具有出色的选择性。通过过滤分离产物，因为喹唑啉-2,4（1 H，3 H）-二酮在水中的高度不溶性。副产物二甲胺也具有工业重要性，而CO 2可以回收利用。该方案在苯并咪唑和苯并噻唑的合成中具有广泛的应用。
• A highly efficient way to capture CX2 (O, S) mildly in reusable ReILs at atmospheric pressure
  作者：Hui Zheng、Xianting Cao、Kui Du、Jun Xu、Pengfei Zhang

  DOI：10.1039/c4gc00190g

  日期：——

  valuable chemicals at atmospheric pressure is an attractive topic. A novel method of preparing quinazoline derivatives by capturing CX2 (O, S) in reusable, room-temperature, reversible ionic liquids (ReILs) with high yields (up to 98%) at 40 °C and atmospheric pressure was developed in this paper. The different reaction conditions were optimized and the products were easily separated from the ReILs which

  在大气压下将CX 2（O，S）高效转化为有价值的化学物质是一个有吸引力的话题。本文提出了一种通过在可重复使用的，室温可逆的离子液体（ReILs）中捕获CX 2（O，S）来制备喹唑啉衍生物的新方法，该方法在40°C和大气压下具有高产率（高达98％）。 。优化了不同的反应条件，可以轻松地将产物与ReILs分离，可以将其重复使用至少六次，而收率却没有显着降低。捕获CX的可信机构2在ReILs（O，S）提出，它提供了一种绿色，高效的协议来捕获CX 2在ReILs（O，S）的合成喹唑啉衍生物。
• [EN] DIACYLGLYCEROL KINASE MODULATING COMPOUNDS<br/>[FR] COMPOSÉS MODULANT LA DIACYLGLYCÉROL KINASE
  申请人：CARNA BIOSCIENCES INC

  公开号：WO2021130638A1

  公开（公告）日：2021-07-01

  The present disclosure provides diacylglycerol kinase modulating compounds, and pharmaceutical compositions thereof, for treating cancer, including solid tumors, and viral infections, such as HIV or hepatitis B virus infection. The compounds can be used alone or in combination with other agents.

  本公开提供了调节二酰基甘油激酶的化合物以及用于治疗癌症（包括实体瘤）和病毒感染（如HIV或乙型肝炎病毒感染）的药物组合物。这些化合物可以单独使用或与其他药物联合使用。

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