2,6-二氯-4-氰基嘧啶 | 26293-93-6

• 物质功能分类: 医药中间体 - 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: 2,6-二氯-4-氰基嘧啶
• 中文别名: 2,6-二氯嘧啶-4-甲腈；2,6-二氯－4-氰基嘧啶
• 英文名称: 2,6-dichloropyrimidine-4-carbonitrile
• CAS: 26293-93-6
• 化学式: C₅HCl₂N₃
• 分子量: 173.989
• InChiKey: HLAOENZTDMPYNY-UHFFFAOYSA-N

物化性质

• 沸点：
  289.3±20.0 °C(Predicted)
• 密度：
  1.60±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  49.6
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2933599090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  2-8°C

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2,6-Dichloropyrimidine-4-carbonitrile
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: 2,6-Dichloropyrimidine-4-carbonitrile
CAS number: 26293-93-6

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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, refrigerated.
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: C5HCl2N3
Molecular weight: 174.0

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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 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：

  2,6-二氯-4-氰基嘧啶 在 盐酸 、 selenium 、 [(2-di-cyclohexylphosphino-3,6-dimethoxy-2’,4’,6’-triisopropyl-1,1‘-biphenyl)-2-(2‘-amino-1,1’-biphenyl)]palladium(II) methanesulfonate 、 sodium hydride 、 caesium carbonate 、 三乙胺 、 N,N-二异丙基乙胺 作用下， 以 1,4-二氧六环 、 甲醇 、 乙醇 、 水 、 二甲基亚砜 、 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 反应 15.0h， 生成
  参考文献：
  名称：

  [EN] SELENIUM HETEROCYCLIC COMPOUNDS AND APPLICATION THEREOF
  [FR] COMPOSÉS HÉTÉROCYCLIQUES DE SÉLÉNIUM ET LEUR APPLICATION
  [ZH] 硒杂环类化合物及其应用

  摘要：

  一类硒杂环类化合物及其应用。具体公开式(Ⅱ)所示化合物及其药学上可接受的盐。

  公开号：

  WO2022083687A1
• 作为产物：
  描述：

  乳清酸 在 氯化亚砜 、 三氯氧磷 作用下， 以 四氢呋喃 为溶剂， 反应 11.5h， 生成 2,6-二氯-4-氰基嘧啶
  参考文献：
  名称：

  一种2,4-二氯-6-氰基嘧啶的合成方法

  摘要：

  本发明公开了一种2,4‑二氯‑6‑氰基嘧啶的合成方法，第一步，将无水乳清酸和三氯氧磷按重量比1:5‑8混合，加热到回流反应5‑7小时，加压蒸去过量的三氯氧磷，然后精馏得中间体B；第二步，将中间体B溶解在无水四氢呋喃中，滴加叔丁胺反应完成后，纯化得中间体C；第三步，将中间体C和氯化亚砜按重量比1:3‑5混合好，加热回流反应4‑6小时，降温，蒸去多余的氯化亚砜，冰水淬灭，纯化，干燥，浓缩后重结晶得产品。本发明提高了收率，缩短了时间，操作简单，简化了后处理工序，提高了操作的安全性。

  公开号：

  CN110372584A

文献信息

• [EN] SUBSTITUTED PYRROLOPYRIDINES AS ATR INHIBITORS<br/>[FR] PYRROLOPYRIDINES SUBSTITUÉES UTILISÉES EN TANT QU'INHIBITEURS D'ATR
  申请人：BLUEVALLEY PHARMACEUTICAL LLC

  公开号：WO2019050889A1

  公开（公告）日：2019-03-14

  The disclosure includes compounds of Formula (I) wherein A, W, m, R5, R6, R7, and R8, are defined herein. Also disclosed is a method for treating a neoplastic disease with these compounds.

  披露包括公式(I)中的化合物，其中A、W、m、R5、R6、R7和R8的定义如下。还披露了一种使用这些化合物治疗肿瘤性疾病的方法。
• [EN] Spirocyclic derivatives<br/>[FR] DÉRIVÉS SPIROCYCLIQUES
  申请人：SHIRE INTERNAT GMBH

  公开号：WO2016042452A1

  公开（公告）日：2016-03-24

  The present invention provides compounds of formula (I): compositions comprising such compounds; the use of such compounds in therapy (for example in the treatment or prevention of a disease, disorder or condition ameliorated by inhibition of a dopamine transporter); and methods of treating patients with such compounds; wherein R1, R2, R3, R4, R5, R6, R9, R10, Q, X, Y, Z, A, L, B, m, n and p are as defined herein.

  本发明提供了式(I)的化合物：包含这种化合物的组合物；在治疗中使用这种化合物（例如在通过抑制多巴胺转运体改善的疾病、紊乱或状况的治疗或预防）；以及使用这种化合物治疗患者的方法；其中R1、R2、R3、R4、R5、R6、R9、R10、Q、X、Y、Z、A、L、B、m、n和p如本文所定义。
• [EN] PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA<br/>[FR] INHIBITEURS PURIQUES DE LA PHOSPHATIDYLINOSITOL 3-KINASE DELTA HUMAINE
  申请人：MERCK SHARP & DOHME

  公开号：WO2019119206A1

  公开（公告）日：2019-06-27

  Provided herein is compounds of formulas (Ia) and (Ib) which are PI3K-delta inhibitors, and uses for the treatment of PI3K-delta-mediated diseases such as inflammation, asthma, COPD and cancer.

  本文提供的是化合物的化学式(Ia)和(Ib)，这些化合物是PI3K-delta抑制剂，用于治疗PI3K-delta介导的疾病，如炎症、哮喘、慢性阻塞性肺病和癌症。
• ULK1/2抑制剂及其使用方法
  申请人：萨克生物研究学院

  公开号：CN115515589A

  公开（公告）日：2022-12-23

  本公开涉及用于治疗和预防包括癌症在内的ULK介导的疾病的化合物、组合物、制剂及其使用方法。
• [EN] COMPOUND AS KIF18A INHIBITOR<br/>[FR] COMPOSÉ DESTINÉ À ÊTRE UTILISÉ EN TANT QU'INHIBITEUR DE KIF18A<br/>[ZH] 作为KIF18A抑制剂的化合物
  申请人：HANGZHOU INNOGATE PHARMA CO LTD

  公开号：WO2022268230A1

  公开（公告）日：2022-12-29

  本发明提供了作为KIF18A抑制剂的化合物，具体地，本发明提供了一种如下式(I)所示结构的化合物，或其光学异构体，药学上可接受的盐，前药，氘代衍生物，水合物，溶剂合物。所述的化合物可以用于治疗或预防与KIF18A的活性或表达量相关的疾病或病症。