2-氨基-4,7-二氢-5H-噻吩并[2,3-c]硫代吡喃-3-羧酸乙酯 | 173281-01-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 中文名称: 2-氨基-4,7-二氢-5H-噻吩并[2,3-c]硫代吡喃-3-羧酸乙酯
• 中文别名: 2-氨基-4,7-二氢-5H-噻吩并[2,3-C]硫代吡喃-3-羧酸乙酯
• 英文名称: ethyl 2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylate
• 英文别名: 2-amino-4,7-dihydro-5H-thieno[2,3-c]thiopyran-3-carboxylic acid ethyl ester；ethyl 2-amino-4,7-dihydro-5H-thieno[2,3-c]thiopyran-3-carboxylate
• CAS: 173281-01-1
• 化学式: C₁₀H₁₃NO₂S₂
• mdl: MFCD06368756
• 分子量: 243.351
• InChiKey: BUBJJJMGHWCARG-UHFFFAOYSA-N

物化性质

• 熔点：
  86-88 °C(Solv: methanol (67-56-1))
• 沸点：
  460.5±45.0 °C(Predicted)
• 密度：
  1.337±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  106
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 海关编码：
  2934999090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-Amino-4,7-dihydro-5h-thieno[2,3-c]thiopyran-3-carboxylic acid ethyl ester
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-Amino-4,7-dihydro-5h-thieno[2,3-c]thiopyran-3-carboxylic acid ethyl ester
CAS number: 173281-01-1

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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: C10H13NO2S2
Molecular weight: 243.4

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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, sulfur oxides.

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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-氨基-4,7-二氢-5H-噻吩并[2,3-c]硫代吡喃-3-羧酸乙酯 在 calcium carbonate 作用下， 以 二氯甲烷 为溶剂， 反应 29.0h， 生成 3-((Ethoxythioxomethyl)-amino)-4,7-dihydro-5H-thieno<2,3-c>thiopyran-3-carboxylic acid ethyl ester
  参考文献：
  名称：

  Synthesis of new fused heterocycles by annelation of thiopyrano[4?,3?:4,5]thieno[2,3-c]pyrimidines

  摘要：

  Appropriately substituted thieno[2,3-c] thiopyrans (2, 3, 5, 6, 10, 11) were converted into 1,5,6,8-tetrahydro-2H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-ones (4, 7, 12). These in turn were used as key intermediates for annelations of thiazolo and 1,3-thiazino moieties to yield the tetracyclic target structures 7, 8, 9, and 13, derived from two novel heterocyclic ring systems.

  DOI：

  10.1007/bf00811015
• 作为产物：
  描述：

  ethyl 2-cyano-2-(tetrahydrothiopyran-4-ylidene)acetate 在 三乙烯二胺 、 1,2,3,4,5,6,7,8-八硫杂环辛烷 作用下， 以 水 为溶剂， 反应 4.0h， 生成 2-氨基-4,7-二氢-5H-噻吩并[2,3-c]硫代吡喃-3-羧酸乙酯
  参考文献：
  名称：

  DABCO水溶液，一种用于快速有机催化Knoevenagel缩合和Gewald反应的有效介质

  摘要：

  在水和1,4-二氮杂双环[2.2.2]辛烷的存在下，几种醛和环状酮与丙二腈和氰基乙酸乙酯进行有效的Knoevenagel缩合反应，从而在相当短的时间内产生各自的ab-不饱和体系。结果，容易获得高收率的结合产物。产物可以逐步地或原位地进行Gewald反应，以在4--7小时内有效地产生它们各自的2-氨基噻吩。

  DOI：

  10.3906/kim-1309-38

文献信息

• [EN] THIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS CAUSED BY IGE<br/>[FR] DÉRIVÉS DE THIOPHÈNE POUR LE TRAITEMENT DE TROUBLES PROVOQUÉS PAR IGE
  申请人：UCB BIOPHARMA SRL

  公开号：WO2019243550A1

  公开（公告）日：2019-12-26

  Thiophene derivatives of formula (I) and a pharmaceutically acceptable salt thereof are provided. These compounds have utility for the treatment or prevention of disorders caused by IgE, such as allergy, type 1 hypersensitivity or familiar sinus inflammation.

  提供了公式（I）的噻吩衍生物及其药用可接受的盐。这些化合物对于治疗或预防由IgE引起的疾病具有用途，如过敏、1型超敏反应或家族性鼻窦炎。
• NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS
  申请人：Carroll William A.

  公开号：US20090018114A1

  公开（公告）日：2009-01-15

  The present application relates to cannabinoid receptor ligands containing compounds of formula (I) wherein A, R 1 , R 2 , and R 3 are as defined in the specification. The present application also relates to compositions comprising such compounds, and methods of treating conditions and disorders using such compounds and compositions.

  本申请涉及含有式(I)化合物的大麻素受体配体，其中A、R1、R2和R3如规范中所定义。本申请还涉及包含这种化合物的组合物，以及使用这种化合物和组合物治疗疾病和疾病的方法。
• [EN] ANTHELMINTIC AND INSECTICIDAL THIOPHENE DERIVATIVES<br/>[FR] VERMIFUGES ET INSECTICIDES A BASE DE DERIVES THIOPHENIQUES
  申请人：UPJOHN CO

  公开号：WO2003101979A1

  公开（公告）日：2003-12-11

  Novel anthelmintic compositions containing thiophene derivatives as active ingredients are disclosed.

  新的含有噻吩衍生物作为活性成分的驱虫剂组合物被揭示。
• Synthesis and SAR of thiophene containing kinesin spindle protein (KSP) inhibitors
  作者：Anthony B. Pinkerton、Tom T. Lee、Timothy Z. Hoffman、Yan Wang、Mehmet Kahraman、Travis G. Cook、Daniel Severance、Timothy C. Gahman、Stewart A. Noble、Andrew K. Shiau、Robert L. Davis

  DOI：10.1016/j.bmcl.2007.04.076

  日期：2007.7

  We have identified and synthesized a series of thiophene containing inhibitors of kinesin spindle protein. SAR studies led to the synthesis of 33, which was co-crystallized with KSP and determined to bind to an allosteric pocket previously described for other known KSP inhibitors.

  我们已经鉴定并合成了一系列含有噻吩的驱动蛋白纺锤体蛋白抑制剂。SAR研究导致了33的合成，该合成物与KSP共结晶，并确定与先前针对其他已知KSP抑制剂所述的变构口袋结合。
• [EN] THIENOPYRIMIDINE INHIBITORS OF ATYPICAL PROTEIN KINASE C<br/>[FR] INHIBITEURS DE TYPE THIÉNOPYRIMIDINE DE PROTÉINES KINASES C ATYPIQUES
  申请人：CANCER REC TECH LTD

  公开号：WO2013078126A1

  公开（公告）日：2013-05-30

  The present invention provides a compound of formula (I) or a salt thereof, wherein R1, R2, R3, R4, R5, R6, A, G, M, Q and X are as defined herein. A compound of formula (I) and its salts have a PKC inhibitory activity, and may be used to treat proliferative disorders.

  本发明提供了一种式（I）的化合物或其盐，其中R1、R2、R3、R4、R5、R6、A、G、M、Q和X如本文所定义。式（I）的化合物及其盐具有PKC抑制活性，并可用于治疗增生性疾病。

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