2-(6-氯-吡啶-3-基甲基)-异吲哚-1,3-二酮 | 120739-60-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 中文名称: 2-(6-氯-吡啶-3-基甲基)-异吲哚-1,3-二酮
• 英文名称: ((2-chloro-5-pyridinyl)methyl)isoindol-1,3-dione
• 英文别名: N-(2-chloro-5-pyridyl)methylphthalic acid imide；N-(6-chloro-pyridin-3-ylmethyl)-phthalimide；N-(6-chloro-3-pyridylmethyl) phthalimide；2-((6-Chloropyridin-3-yl)methyl)isoindoline-1,3-dione；2-[(6-chloropyridin-3-yl)methyl]isoindole-1,3-dione
• CAS: 120739-60-8
• 化学式: C₁₄H₉ClN₂O₂
• mdl: MFCD09802551
• 分子量: 272.691
• InChiKey: VJWRGOSBPDZVMI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.071
• 拓扑面积：
  50.3
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2933399090
• 包装等级：
  III
• 危险类别：
  6.1
• 危险性防范说明：
  P261,P264,P270,P271,P280,P302+P352,P304+P340,P310,P330,P361,P403+P233,P405,P501
• 危险品运输编号：
  2811
• 危险性描述：
  H301,H311,H331

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-[(6-Chloropyridin-3-yl)methyl]isoindole-1,3-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: 2-[(6-Chloropyridin-3-yl)methyl]isoindole-1,3-dione
CAS number: 120739-60-8

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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: C14H9ClN2O2
Molecular weight: 272.7

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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.

---

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-氯-吡啶-3-基甲基)-异吲哚-1,3-二酮 在 potassium carbonate 、 一水合肼 作用下， 以 乙醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 生成 N-((2-chloropyridine-5-yl)methyl)-3-chloro-5-trifluoromethylpyridin-2-amine
  参考文献：
  名称：

  吡啶甲胺基吡啶类化合物及其制备方法

  摘要：

  本发明公开了式(I)所示的具有杀菌、杀虫/螨、除草生物活性的吡啶甲胺基吡啶类化合物及其制备方法、含有所述化合物的杀菌、杀虫/螨、除草剂组合物、以及用这些化合物控制真菌、虫/螨、杂草的用途与方法。

  公开号：

  CN103242225B
• 作为产物：
  描述：

  2-氯-5-氯甲基吡啶 、 potassium phtalimide 以 N,N-二甲基甲酰胺 为溶剂， 反应 5.0h， 以93.3%的产率得到2-(6-氯-吡啶-3-基甲基)-异吲哚-1,3-二酮
  参考文献：
  名称：

  含芳族甲胺基团的2-氰基丙烯酸酯的合成，除草活性和3D-QSAR。

  摘要：

  合成了一系列含有不同芳环的新型2-氰基丙烯酸酯，并通过（1）NMR，元素分析和单晶X射线衍射分析对它们的结构进行了表征。评价了它们对四种杂草的除草活性以及对分离的叶绿体的光合电子传递的抑制作用（希尔反应）。体内和体外数据均显示，含有苯，吡啶和噻唑部分的化合物比含有嘧啶，哒嗪，呋喃和四面体呋喃部分的化合物具有更高的活性。为了在体外数据的基础上进一步探索全面的构效关系，我们进行了比较分子场分析（CoMFA），

  DOI：

  10.1021/jf072851x
• 作为试剂：
  描述：

  2-氯-5-氯甲基吡啶 、 邻苯二甲酰亚胺钾盐 在 二氯甲烷 、 水 、 Brine 、 2-(6-氯-吡啶-3-基甲基)-异吲哚-1,3-二酮 作用下， 以 二氯甲烷 为溶剂， 反应 12.0h， 以The title product, N-(6-chloro-3-pyridylmethyl) phthalimide, was isolated from this solid by flash chromatography的产率得到2-(6-氯-吡啶-3-基甲基)-异吲哚-1,3-二酮
  参考文献：
  名称：

  Butenone compounds, their preparation and their use as pesticides

  摘要：

  一种具有通式I的丁酮化合物：##STR1## 其中R.sup.1代表一个吡啶基或噻唑基，该基带有一个或多个取代基，独立选自卤素原子，烷基，烷氧基，烷硫基，卤代烷基，氰基，烷氧羰基，烷基氨基和二烷基氨基；R.sup.2代表氢原子，烷基或烷基羰基基团；R.sup.3代表烷基基团；R.sup.4代表卤代烷基团；X代表硫原子或式N--R.sup.5的基团，其中R.sup.5代表氢原子，烷基或烷基羰基基团；n为0或1，以及其制备方法和在防治害虫方面的应用。

  公开号：

  US05225423A1

文献信息

• Novel thiourea derivatives and the pharmaceutical compositions containing the same
  申请人：——

  公开号：US20030153596A1

  公开（公告）日：2003-08-14

  The present invention relates to novel thiourca derivatives as a modulator for vanilloid receptor (VR) and the phar- maceutical compositions containing the same. As diseases associated with the activity of vanilloid receptor, pain acute pain, chronic pain, neuropathic pain, post-operative pain, migraine, arthralgia, neuropathies, nerve injury, diabetic neuropathy, neurodegeneration, neurotic skin disorder, stroke, urinary bladder hypersensitiveness, irritable bowel syndrome, a respiratory disorder such as asthma or chronic obstructive pulmonary disease, irritation of skin, eye or mucous membrane, fervescence, stomach-duodenal ulcer, inflam- matory bowel disease and inflammatory diseases can be enumerated. The present invention provides a pharmaceutical composition for prevention or treatment of these diseases.

  本发明涉及一种新型硫脲衍生物，作为辣椒素受体（VR）的调节剂，以及含有该衍生物的药物组合物。作为与辣椒素受体活性相关的疾病，可以列举急性疼痛、慢性疼痛、神经痛、术后疼痛、偏头痛、关节痛、神经病变、神经损伤、糖尿病性神经病变、神经退行性疾病、神经性皮肤疾病、中风、膀胱过敏、肠易激综合征、哮喘或慢性阻塞性肺病等呼吸道疾病、皮肤、眼睛或黏膜刺激、发热、胃十二指肠溃疡、炎症性肠病和炎症性疾病。本发明提供了一种用于预防或治疗这些疾病的药物组合物。
• PROCESS FOR PRODUCING SUBSTITUTED METHYLAMINE COMPOUND AND TRIAZINE DERIVATIVE
  申请人：Shibata Yasushi

  公开号：US20100121054A1

  公开（公告）日：2010-05-13

  The present invention provides a process that enables a substituted methylamine compound which is useful as an intermediate for the production of agricultural chemicals and medicines, to be produced easily, with good yield, and at low cost, and also provides a production intermediate thereof. The process comprises a step of reacting a hexamethylenetetraammonium salt compound represented by a formula (I) with a base to obtain an N-methylidene-substituted methylamine oligomer represented by a formula (II) or a mixture of two or more of the oligomers, and a step of hydrolyzing the N-methylidene-substituted methylamine oligomer represented by formula (II) or the mixture of two or more of the oligomers in the presence of an acid. (wherein A represents an organic group that is either a hydrocarbon group or a heterocyclic group, or said organic group that has a substituent, R represents a hydrogen atom, an organic group that is either a hydrocarbon group or a heterocyclic group, or said organic group that has a substituent, L represents a halogen atom and the like, and n represents an integer of 2 to 20)

  本发明提供了一种过程，使得一种取代甲胺化合物易于制备，且产量高、成本低，可用作农药和药物的中间体，并提供其生产中间体。该过程包括以下步骤：将一种由式(I)表示的六亚甲基四胺盐化合物与碱反应，得到一种由式(II)表示的N-甲基亚甲基取代甲胺寡聚体或两种或两种以上的寡聚体混合物；在酸的存在下水解由式(II)表示的N-甲基亚甲基取代甲胺寡聚体或两种或两种以上的寡聚体混合物。(其中，A表示一个有机基团，可以是一个碳氢基团或杂环基团，或者是带有取代基的有机基团；R表示氢原子、一个碳氢基团或杂环基团，或者是带有取代基的有机基团；L表示卤素原子等；n表示2到20的整数。)
• [EN] NOVEL THIOUREA DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME<br/>[FR] NOUVEAUX DERIVES DE THIOUREA ET COMPOSITIONS PHARMACEUTIQUES RENFERMANT CEUX-CI
  申请人：PACIFIC CORP

  公开号：WO2002016318A1

  公开（公告）日：2002-02-28

  The present invention relates to novel thiourea derivatives as a modulator for vanilloid receptor (VR) and the pharmaceutical compositions containing the same. As diseases associated with the activity of vanilloid receptor, pain acute pain, chronic pain, neuropathic pain, post-operative pain, migraine, arthralgia, neuropathies, nerve injury, diabetic neuropathy, neurodegeneration, neurotic skin disorder, stroke, urinary bladder hypersensitiveness, irritable bowel syndrome, a respiratory disorder such as asthma or chronic obstructive pulmonary disease, irritation of skin, eye or mucous membrane, fervescence, stomach-duodenal ulcer, inflammatory bowel disease and inflammatory diseases can be enumerated. The present invention provides a pharmaceutical composition for prevention or treatment of these diseases.

  本发明涉及一种新型硫脲衍生物，作为vanilloid受体（VR）的调节剂以及含有该化合物的制药组合物。作为与vanilloid受体活性相关的疾病，可以列举急性疼痛、慢性疼痛、神经病性疼痛、术后疼痛、偏头痛、关节痛、神经病变、神经损伤、糖尿病神经病变、神经退行性疾病、神经性皮肤疾病、中风、膀胱过敏、肠易激综合症、哮喘或慢性阻塞性肺疾病、皮肤、眼或粘膜刺激、发热、胃十二指肠溃疡、炎症性肠病和炎症性疾病等。本发明提供了用于预防或治疗这些疾病的制药组合物。
• Alpha-unsaturated amine pyridine compounds
  申请人：Takeda Chemical Industries, Ltd.

  公开号：US05175301A1

  公开（公告）日：1992-12-29

  .alpha.-Unsaturated amines of the formula: ##STR1## wherein X.sup.1 and X.sup.2 are such that one is an electron-attracting group with the other being a hydrogen atom or an electron-attracting group; R.sup.1 is a group attached through a nitrogen atom; R.sup.2 is a hydrogen atom or a group attached through a carbon, nitrogen or oxygen atom; n is an integer equal to 0, 1 or 2; A is a heterocyclic group or a cyclic hydrocarbon group, and salts thereof and their agrochemical use as insecticidal and/or miticidal agents are described.

  本文描述了化学式为：##STR1##的.alpha.-不饱和胺，其中X.sup.1和X.sup.2是电子吸引基团，其中一个是氢原子或电子吸引基团，R.sup.1是通过氮原子连接的基团，R.sup.2是氢原子或通过碳、氮或氧原子连接的基团，n是等于0、1或2的整数，A是杂环基团或环烃基团，以及它们的盐和它们作为杀虫和/或杀螨剂的农药用途。
• Halogen substituted 5-thiazole methane amine compounds
  申请人：Takeda Chemical Industries, Ltd.

  公开号：US05214152A1

  公开（公告）日：1993-05-25

  .alpha.-Unsaturated amines of the formula: ##STR1## wherein X.sup.1 and X.sup.2 are such that one is an electron-attracting group with the other being a hydrogen atom or an electron-attracting group; R.sup.1 is a group attached through a nitrogen atom; R.sup.2 is a hydrogen atom or a group attached through a carbon, nitrogen or oxygen atom; n is an integer equal to 0, 1 or 2; A is a heterocyclic group or a cyclic hydrocarbon group, and salts thereof and their agrochemical use as insecticidal and/or miticidal agents are described.

  本发明涉及一种以下式子的.alpha.-不饱和胺：##STR1## 其中X.sup.1和X.sup.2是这样的，其中一个是吸电子基团，另一个是氢原子或吸电子基团；R.sup.1是通过氮原子连接的基团；R.sup.2是氢原子或通过碳、氮或氧原子连接的基团；n是等于0、1或2的整数；A是杂环基团或环烃基团，以及它们的盐和作为杀虫和/或杀螨剂的农药用途。