6-溴-2,3-二氮杂萘酮 | 75884-70-7

• 物质功能分类: 医药中间体 - 杂环化合物
• 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: 6-溴-2,3-二氮杂萘酮
• 中文别名: 6-溴酞嗪-1-醇
• 英文名称: 6-bromophthalazin-1(2H)-one
• 英文别名: 6-bromophthalazine-1(2H)-one；6-bromo-2H-phthalazin-1-one
• CAS: 75884-70-7
• 化学式: C₈H₅BrN₂O
• mdl: MFCD09264003
• 分子量: 225.044
• InChiKey: QMONLZVJOOMKRW-UHFFFAOYSA-N

物化性质

• 熔点：
  280-283 °C
• 密度：
  1.82±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  41.5
• 氢给体数：
  1
• 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

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 6-Bromophthalazin-1(2h)-one
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: 6-Bromophthalazin-1(2h)-one
CAS number: 75884-70-7

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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: C8H5BrN2O
Molecular weight: 225.0

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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 bromide.

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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

制备方法与用途

用途

6-溴-2,3-二氮杂萘酮是一种酮类衍生物，可用作医药化工中间体。

制备

新型取代的酞嗪酮类衍生物的合成以邻苯二甲酸酐为原料，氯化铝作为催化剂制备酞嗪母核。随后，在无水乙醇中与水合肼反应，并使用浓硫酸作为催化剂，最终制备得到6-溴-2,3-二氮杂萘酮。

上下游信息

• 下游产品

  中文名称	英文名称	CAS号	化学式	分子量
  6-溴-2-甲基酞嗪-1-酮	6-bromo-2-methylphthalazin-1(2H)-one	1234616-69-3	C9H7BrN2O	239.071
  ——	6-vinylphthalazine-1(2H)-one	1416980-15-8	C10H8N2O	172.186
  ——	6-isothiocyanatophthalazin-1(2H)-one	——	C9H5N3OS	203.224
  ——	6-(4-chlorophenyl)-2H-phthalazin-1-one	897661-90-4	C14H9ClN2O	256.691
  6-溴-1-氯-二氮杂萘	6-bromo-1-chlorophthalazine	470484-70-9	C8H4BrClN2	243.49

反应信息

• 作为反应物：
  描述：

  6-溴-2,3-二氮杂萘酮 在 三氯氧磷 作用下， 反应 1.0h， 以87%的产率得到6-溴-1-氯-二氮杂萘
  参考文献：
  名称：

  Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants

  摘要：

  本发明提供了式(I)或(IV)的新型苯基甘氨酰衍生物：或其立体异构体、互变异构体、药学上可接受的盐、溶剂合物或前药，其中变量W、W1、Y、Z、R7、R8、R9和R11如本文所定义。这些化合物是选择性因子VIIa的抑制剂，可用作药物。

  公开号：

  US20070003539A1
• 作为产物：
  描述：

  4-溴邻苯二甲酰亚胺 在 copper(ll) sulfate pentahydrate 、 一水合肼 、 sodium hydroxide 、 锌 作用下， 以 水 为溶剂， 反应 9.0h， 生成 6-溴-2,3-二氮杂萘酮
  参考文献：
  名称：

  Pesticidal compositions and processes related thereto

  摘要：

  这份文件披露了具有以下化学式（“化学式一”）的分子： 以及相关的过程。

  公开号：

  US09211280B2

文献信息

• 一种选择性钠通道调节剂及其制备和应用
  申请人：明慧医药（上海）有限公司

  公开号：CN112300051A

  公开（公告）日：2021-02-02

  本发明提供了作为选择性钠通道调节剂的化合物及合成和使用方法，具体地，本发明提供了一种如式(I)所示的化合物，及其制备方法和作为选择性钠通道调节剂的用途。所述的化合物表现出作为钠通道调节剂的优异活性。
• PROTOZOAN PARASITE GROWTH INHIBITORS
  申请人：Northeastern University

  公开号：US20150259331A1

  公开（公告）日：2015-09-17

  Compounds and methods for inhibiting growth of a protozoan parasite. Methods of treating a protozoan parasite infection in a subject by administering a therapeutically effective amount of a compound as disclosed herein. The compounds and methods can be used to inhibit growth of protozoan parasites such as Trypanosoma brucei, Trypanosoma cruzi, Leishmania spp., and Plasmodium spp.

  用于抑制原生动物寄生虫生长的化合物和方法。通过向主体施用如本文所述的治疗有效量的化合物来治疗原生动物寄生虫感染的方法。这些化合物和方法可用于抑制如非洲锥虫、克鲁兹锥虫、利什曼原虫属和疟原虫属等原生动物寄生虫的生长。
• Aryl nitrogen-containing bicyclic compounds and methods of use
  申请人：Patel F. Vinod

  公开号：US20070054916A1

  公开（公告）日：2007-03-08

  The present invention comprises a new class of compounds useful for the prophylaxis and treatment of protein kinase mediated diseases, including inflammation, cancer and related conditions. The compounds have a general Formula I wherein A 1 , A 2 , A 3 , B, R 1 , R 2 , R 3 and R 4 are defined herein. Accordingly, the invention also comprises pharmaceutical compositions comprising the compounds of the invention, methods for the prophylaxis and treatment of kinase mediated diseases using the compounds and compositions of the invention, and intermediates and processes useful for the preparation of compounds of the invention.

  这项发明涉及一类新的化合物，用于预防和治疗蛋白激酶介导的疾病，包括炎症、癌症和相关疾病。这些化合物具有一般的化学式I，其中A1、A2、A3、B、R1、R2、R3和R4在此有定义。因此，该发明还涉及包括该发明的化合物的药物组合物，使用该发明的化合物和组合物预防和治疗激酶介导的疾病的方法，以及用于制备该发明的化合物的中间体和方法。
• NOVEL TRIAZINE DERIVATIVE
  申请人：Carna Biosciences, Inc.

  公开号：EP2824099A1

  公开（公告）日：2015-01-14

  To provide a novel triazine derivative represented by the following formula (I): A triazine derivative represented by the following formula (I) : wherein R1 represents a substituted or unsubstituted aryl group, a substituted or unsubstituted heterocyclic ring, a substituted or unsubstituted heterocyclic fused ring, or a substituted or unsubstituted alkynyl group, R2 represents a hydrogen atom, a halogen atom, a substituted or unsubstituted lower alkyl group, or a substituted or unsubstituted alkoxy group, R3 represents a substituted or unsubstituted aryl group, a substituted or unsubstituted heterocyclic ring, or a substituted or unsubstituted heterocyclic fused ring, R4 represents a hydrogen atom, a substituted or unsubstituted lower alkyl group, a substituted or unsubstituted alkoxy group, a substituted or unsubstituted amino group, or a halogen atom, and R5 represents a hydrogen atom, a substituted or unsubstituted lower alkyl group, or R1 and R5 may be combined to form a saturated or unsaturated 5- to 6-membered ring, thereby forming a multiply fused ring, or a pharmaceutically acceptable salt thereof.

  提供以下式(I)所代表的一种新型三嗪衍生物： 由以下式(I)表示的三嗪衍生物： 其中 R1代表取代或未取代的芳基、取代或未取代的杂环基、取代或未取代的杂环融合环或取代或未取代的炔基， R2代表氢原子、卤原子、取代或未取代的较低烷基或取代或未取代的烷氧基， R3代表取代或未取代的芳基、取代或未取代的杂环基或取代或未取代的杂环融合环， R4代表氢原子、取代或未取代的较低烷基、取代或未取代的烷氧基、取代或未取代的氨基或卤原子，以及 R5代表氢原子、取代或未取代的较低烷基，或R1和R5可结合形成饱和或不饱和的5-至6元环，从而形成多重融合环， 或其药学上可接受的盐。
• FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS
  申请人：Corkey Britton Kenneth

  公开号：US20120289493A1

  公开（公告）日：2012-11-15

  The present disclosure relates to compounds that are sodium channel inhibitors and to their use in the treatment of various disease states, including cardiovascular diseases and diabetes. In particular embodiments, the structure of the compounds is given by Formula I: wherein Q, R 1 , X 1 , X 2 , Y and R 2 are as described herein, to methods for the preparation and use of the compounds and to pharmaceutical compositions containing the same.

  本公开涉及一类为钠通道抑制剂的化合物，以及它们在治疗各种疾病状态中的应用，包括心血管疾病和糖尿病。在特定实施例中，该化合物的结构由式I给出： 其中Q、R1、X1、X2、Y和R2如本文所述，以及制备和使用该化合物的方法，以及含有该化合物的药物组合物。