4-[4-(乙氧羰酰)-1,3-噻唑-2-YL]四氢-1(2H)-吡啶羧酸叔丁酯 | 365413-31-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 4-[4-(乙氧羰酰)-1,3-噻唑-2-YL]四氢-1(2H)-吡啶羧酸叔丁酯
• 中文别名: 4-[4-(乙氧羰基)-1,3-噻唑-2-基]哌啶羧酸叔丁酯；4-[4-(乙氧基羰基)-2-噻唑]-1-哌啶羧酸-1,1-二甲基乙酯；4-[4-(乙氧羰基)-1,3-噻唑-2-基]-哌嗪-1-甲酸叔丁基酯；4-[4-(乙氧羰基)-1,3-噻唑-2-基]四氢-1(2H)-吡啶羧酸叔丁酯
• 英文名称: ethyl 2-(1-(tert-butoxycarbonyl)piperidin-4-yl)thiazole-4-carboxylate
• 英文别名: ethyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-thiazole-4-carboxylate
• CAS: 365413-31-6
• 化学式: C₁₆H₂₄N₂O₄S
• 分子量: 340.444
• InChiKey: LBRUPXMVELEXIV-UHFFFAOYSA-N

物化性质

• 熔点：
  71 °C
• 沸点：
  444.9±35.0 °C(Predicted)
• 密度：
  1.190±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  97
• 氢给体数：
  0
• 氢受体数：
  6

安全信息

• 海关编码：
  2934100090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: Ethyl 2-(1-(tert-butoxycarbonyl)piperidin-4-yl)thiazole-4-carboxylate
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: Ethyl 2-(1-(tert-butoxycarbonyl)piperidin-4-yl)thiazole-4-carboxylate
CAS number: 365413-31-6

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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: C16H24N2O4S
Molecular weight: 340.4

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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：

  4-[4-(乙氧羰酰)-1,3-噻唑-2-YL]四氢-1(2H)-吡啶羧酸叔丁酯 在 N,N-二甲基甲酰胺 盐酸 、 甲醇 、 sodium hydroxide 、 草酰氯 、 水 、 三乙胺 作用下， 以 乙醚 、 二氯甲烷 为溶剂， 反应 37.5h， 生成 N-methyl-2-(1-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}piperidin-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole-4-carboxamide
  参考文献：
  名称：

  [EN] FUNGICIDAL CARBOXAMIDES
  [FR] CARBOXAMIDES FONGICIDES

  摘要：

  公开号：

  WO2007014290A3
• 作为产物：
  描述：

  1-Boc-4-[甲氧基(甲基)氨基甲酰]哌嗪 在 manganese(IV) oxide 、 lithium aluminium tetrahydride 、 三乙胺 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 23.0h， 生成 4-[4-(乙氧羰酰)-1,3-噻唑-2-YL]四氢-1(2H)-吡啶羧酸叔丁酯
  参考文献：
  名称：

  PHARMACEUTICAL COMPOSITION COMPRISING A CYTOKINE

  摘要：

  本发明涉及一种药物组合物，包括（i）细胞因子和（ii）一般式（Ih）的化合物或其酸或碱的药学可接受盐，或药学可接受的前药或其立体异构体。示例细胞因子选择自以下细胞因子家族中的一组，（i）四α螺旋束家族，包括（a）IL-2亚家族，（b）干扰素（IFN）亚家族和（c）IL-10亚家族，（ii）IL-1家族，（iii）IL-17家族和（iv）趋化因子。

  公开号：

  US20080241100A1

文献信息

• [EN] IMIDAZOTHIADIAZOLE AND IMIDAZOPYRAZINE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION<br/>[FR] DÉRIVÉS D'IMIDAZOTHIADIAZOLE ET D'IMIDAZOPYRAZINE UTILISÉS COMME INHIBITEURS DU RÉCEPTEUR 4 ACTIVÉ PAR UNE PROTÉASE (PAR4) POUR LE TRAITEMENT DE L'AGRÉGATION PLAQUETTAIRE
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2013163279A1

  公开（公告）日：2013-10-31

  The present invention provides thiazole compounds of Formula I wherein W, Y, R0, R2, R4, R5, R6, R7, X1, X2, X3 and X4 are as defined herein, or a stereoisomer, tautomer, pharmaceutically acceptable salt, prodrug ester or solvate form thereof, wherein all of the variables are as defined herein. These compounds are inhibitors of platelet aggregation and thus can be used as medicaments for treating or preventing thromboembolic disorders.

  本发明提供了式I的噻唑化合物，其中W、Y、R0、R2、R4、R5、R6、R7、X1、X2、X3和X4如本文所定义，或其立体异构体、互变异构体、药学上可接受的盐、前药酯或溶剂化合物形式，其中所有变量均如本文所定义。这些化合物是血小板聚集抑制剂，因此可用作治疗或预防血栓栓塞性疾病的药物。
• [EN] OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION<br/>[FR] COMPOSÉS OXADIAZOLE, INHIBITEURS DE LA PRODUCTION DE LEUCOTRIÈNES
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2012027322A1

  公开（公告）日：2012-03-01

  The present invention relates to compound of formula (I) and pharmaceutically acceptable salt thereof, wherein R1-R5 are as defined herein. The invention also relates to pharmaceutical compositions comprising these compounds, methods of using these compounds in the treatment of various diseases and disorders, processes for preparing these compounds and intermediates useful in these processes.

  本发明涉及式(I)的化合物及其药用可接受盐，其中R1-R5如本文所定义。该发明还涉及包括这些化合物的药物组合物，使用这些化合物治疗各种疾病和疾病的方法，制备这些化合物的过程以及在这些过程中有用的中间体。
• [EN] THIAZOLYLPIPERIDINE DERIVATIVES AS MTP INHIBITORS<br/>[FR] DERIVES DE LA THIAZOLYLPIPERIDINE, INHIBITEURS DE LA MTP
  申请人：MERCK PATENT GMBH

  公开号：WO2005003128A1

  公开（公告）日：2005-01-13

  The present invention relates to thiazolylpiperidine derivatives of the gen­eral formula (I): in which: A represents a radical chosen from the radicals a1 and a2 below: G represents a bond or a divalent radical chosen from the groups g1, g2 and g3 below: and R1, R2, R2’, R3, R4, R5, Y and Z are as defined in the description. Application of the compounds of the formula (I) to the treatment of hyper­triglyceridaemia, hypercholesterolaemia and dyslipidaemia.

  本发明涉及通式（I）的噻唑基哌啶衍生物：其中：A代表从下述a1和a2基团中选择的一个基团：G代表一个键或从下述g1、g2和g3组中选择的一个二价基团：且R1、R2、R2'、R3、R4、R5、Y和Z按描述定义。将公式（I）的化合物应用于治疗高甘油三酯血症、高胆固醇血症和血脂异常。
• [EN] NOVEL FUNGIDAL HETEROCYCLIC COMPOUNDS<br/>[FR] NOUVEAUX COMPOSÉS HÉTÉROCYCLIQUES FONGICIDES
  申请人：PI INDUSTRIES LTD

  公开号：WO2019048988A1

  公开（公告）日：2019-03-14

  The present invention relates to a compound selected from Formula (I) and its salts, metal complexes, N-oxides, isomers, and polymorphs: Formula (I) wherein E, Z, R3, n, G, J & Q have the meaning as defined in the description.

  本发明涉及选择自公式（I）及其盐、金属配合物、N-氧化物、异构体和多晶形式的化合物：公式（I）其中E、Z、R3、n、G、J和Q的含义如描述中所定义。
• [EN] HETEROCYCLIC COMPOUNDS WITH MICROBIOCIDAL PROPERTIES<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES AYANT DES PROPRIÉTÉS MICROBIOCIDES
  申请人：PI INDUSTRIES LTD

  公开号：WO2018193387A1

  公开（公告）日：2018-10-25

  The present disclosure relates to a compound of Formula I, wherein the substituents T, A, W, R2, n, Z, G, Z1 and J are as defined in the description.

  本公开涉及一种具有式I的化合物，其中取代基T、A、W、R2、n、Z、G、Z1和J的定义如描述中所述。