5-氧代-2,3-二氢-5H-[1,3]噻唑并-[3,2-a]嘧啶-6-羧酸乙酯 | 32084-53-0

• 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: 5-氧代-2,3-二氢-5H-[1,3]噻唑并-[3,2-a]嘧啶-6-羧酸乙酯
• 中文别名: 5-氧代-2,3-二氢-5H-[1,3]噻唑并-[3,2-A]嘧啶-6-羧酸乙酯；5-OXO-2,3-DIHYDRO-5H-PYRIMIDO [2,1-B] [1,3]噻唑-6-羧酸乙酯
• 英文名称: ethyl 5-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]-pyrimidine-6-carboxylate
• 英文别名: 6-ethoxycarbonyl-2,3-dihydro-5H-thiazolo[3,2-a]pyrimidin-5-one；5-oxo-2,3-dihydro-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester；6-Aethoxycarbonyl-5-oxothiazolidino<3,2-a>pyrimidin；Ethyl 5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate；ethyl 5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• CAS: 32084-53-0
• 化学式: C₉H₁₀N₂O₃S
• 分子量: 226.256
• InChiKey: HYGPOYRIGOMNSV-UHFFFAOYSA-N

物化性质

• 熔点：
  175 °C

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  84.3
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2934100090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: Ethyl 5-oxo-2H,3H-[1,3]thiazolo[3,2-a]pyrimidine-6-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 5-oxo-2H,3H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CAS number: 32084-53-0

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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: C9H10N2O3S
Molecular weight: 226.3

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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：

  5-氧代-2,3-二氢-5H-[1,3]噻唑并-[3,2-a]嘧啶-6-羧酸乙酯 在 甲烷磺酸 、 叠氮磷酸二苯酯 、 三乙胺 作用下， 以 甲酸 、 苯 为溶剂， 反应 2.0h， 生成 (2,3-Dihydro-5-oxo-5H-thiazolo(3,2-a)pyrimidin-6-yl)carbamic acid propyl ester
  参考文献：
  名称：

  Shridhar, D. R.; Jogibhukta, M.; Joshi, P. P., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1984, vol. 23, # 5, p. 492 - 494

  摘要：

  DOI：
• 作为产物：
  描述：

  2-氨基-2-噻唑啉 、 乙氧基甲叉丙二酸二乙酯 反应 1.0h， 生成 5-氧代-2,3-二氢-5H-[1,3]噻唑并-[3,2-a]嘧啶-6-羧酸乙酯
  参考文献：
  名称：

  噻唑烷[3,2- a ]嘧啶的合成与反应

  摘要：

  由1，2-二溴乙烷和取代的2-硫尿嘧啶制备了许多5-和7-氧噻唑烷[3，2- a ]嘧啶。还通过2-氨基噻唑啉和乙氧基亚甲基丙二酸酯的反应合成了5-氧代系列的化合物。所述的5-氧代系列反应中，溴化反应在温和的条件下发生。6-溴-5-氧代化合物与环状仲胺的反应生成电影取代的‡产物。

  DOI：

  10.1039/j39710001527

文献信息

• A Facile Access to Imidazo[2,1-b]thiazole and Thiazolo[3,2-a]pyrimidine Derivatives
  作者：Cyrille Landreau、David Deniaud、Alain Reliquet、Jean Claude Meslin

  DOI：10.1055/s-2001-17718

  日期：——

  A new and efficient method for the synthesis of 2,3-dihydroimidazo[2,1-b]thiazoles 3, 2,3-dihydro-5H-thiazolo[3,2-a]pyrimidin-5-ones 4 and 2,3-dihydro-5H-thiazolo[3,2-a]pyrimidines 5 has been developed. The reactions of N′-(4,5-dihydrothiazol-2-yl)-N,N-dimethylamidines 1 with α-halogenoketones, acid chlorides or acrylic dienophiles were performed, leading to the title products.

  开发了一种合成2,3-二氢咪唑并[2,1-b]噻唑3、2,3-二氢-5H-噻唑并[3,2-a]嘧啶-5-酮4和2,3-二氢-5H-噻唑并[3,2-a]嘧啶5的新颖高效方法。通过N′-(4,5-二氢噻唑-2-基)-N,N-二甲基脒1与α-卤代酮、酸酐或丙烯酸二烯亲和体的反应，得到了目标产物。
• Synthesis and reactions of thiazolidino[3,2-a]pyrimidines
  作者：G. R. Brown、W. R. Dyson

  DOI：10.1039/j39710001527

  日期：——

  A number of 5- and 7-oxothiazolidino[3,2-a]pyrimidines have been prepared from 1,2-dibromoethane and substituted 2-thiouracils. Compounds of the 5-oxo-series were also synthesised by reaction of 2-aminothiazoline and ethoxymethylenemalonic esters. Amongst reactions of the 5-oxo-series described bromination occurs under mild conditions. Reaction of the 6-bromo-5-oxo-compound with cyclic secondary amines

  由1，2-二溴乙烷和取代的2-硫尿嘧啶制备了许多5-和7-氧噻唑烷[3，2- a ]嘧啶。还通过2-氨基噻唑啉和乙氧基亚甲基丙二酸酯的反应合成了5-氧代系列的化合物。所述的5-氧代系列反应中，溴化反应在温和的条件下发生。6-溴-5-氧代化合物与环状仲胺的反应生成电影取代的‡产物。
• N- vs. S-PTC Alkylation of 5-Carboethoxy-2-thiouracil And Its Reactivity Towards Some Nucleophilic Reagents
  作者：M. A. Hassan、M. M. Mohamed、S. A. Shiba、M. K. Abou El-Regal、A. Khalil

  DOI：10.1080/714040963

  日期：2003.11.1

  The reactivity of 5-carboethoxy-2-thiouracil (1) toward alkylation by different organohalogen compounds under phase-transfer catalysis (PTC) conditions has been investigated to give S-monoalkylated products and/or simultaneous S- and N-dialkylated products. Also, nucleophilic additions of methylmagnesium iodide, hydroxylamine, and hydrazine to 5-carbethoxy-2-thiouracil (1) have been investigated. The

  已经研究了 5-carboethoxy-2-thiouracil (1) 在相转移催化 (PTC) 条件下对不同有机卤素化合物的烷基化反应，以得到 S-单烷基化产物和/或同时发生的 S-和 N-二烷基化产物。此外，还研究了甲基碘化镁、羟胺和肼与 5-carbethoxy-2-thiouracil (1) 的亲核加成。所有产品的结构均已通过元素分析和光谱数据确认。
• Synthesis of 2,3-dihydrothiazolo[3,2-c]pyrimidines
  作者：George R. Brown

  DOI：10.1039/p19730002022

  日期：——

  Hydrolysis of a 2,3-dihydrothiazolo[3,2-a]pyrimidin-5-one with 2N-hydrochloric acid gives first a 3-(2-mercapto-ethyl)uracil, which then ring closes to a 2.3-dihydrothiazolo[3,2-c]pyrimidin-5-one.

  用2 N-盐酸水解2,3-二氢噻唑并[3,2- a ]嘧啶-5-酮会首先生成3-（2-巯基乙基）尿嘧啶，然后环闭合成2.3-二氢噻唑并[ 3，2 - c ]嘧啶-5-一。
• [DE] 3-(MERCAPTOALKYL)- BZW. 3-(ALKYLTHIOALKYL)-PYRIMIDIN-2,4 (1H, 3H)-DIONE<br/>[EN] 3-(MERCAPTOALKYL)- OR 3-(ALKYLTHIOALKYL)- PYRIMIDIN-2,4(1H, 3H)-DIONES<br/>[FR] 3-(MERCAPTOALKYL)- OU 3-(ALKYLTHIOALKYL)-PYRIMIDIN-2,4(1H, 3H)-DIONES
  申请人：PENTAPHARM AG

  公开号：WO1994027975A1

  公开（公告）日：1994-12-08

  (DE) Es wurden 3-(Mercaptoalkyl)- bzw. 3-(Alkylthioalkyl)-pyrimidin-2,4(1H, 3H)-dione gefunden, die eine immunstimulierende und/oder immunrestaurative Wirkung aufweisen und/oder zur Behandlung von Krankheiten geeignet sind, deren Ursache ein durch exogene und/oder endogene Faktoren verminderte Phagozytoseaktivität von Granulozyten bzw. Makrophagen ist.(EN) Disclosed are 3-(mercaptoalkyl)- or 3-(alkylthioalkyl)- pyrimidin-2,4(1H, 3H)-diones which exhibit an immune-stimulating and/or immune-restoring action and/or are suitable for use in the treatment of illnesses caused by phagocytose activity of granulocytes or macrophages reduced by exogenic and/or endogenic factors.(FR) Des 3-(mercaptoalkyl)- ou 3-(alkylthioalkyl)-pyrimidin-2,4(1H, 3H)-diones ont un effet immuno-stimulant et/ou immuno-reconstituant et/ou sont utiles pour traiter des maladies dont la cause est une réduction de l'activité de phagocytose des granulocytes ou des macrophages provoquée par des facteurs exogènes et/ou endogènes.

  以下是以(DE)文本形式翻译为中文的版本： Degust bỏ, 3-( 만들滅雄厚.Layout)- veya 3-(โกş 언stitución老旧)-pirimidin-2,4(1H, 3H)-twoğee uncover edildi, bu imITHER ve/veya imunità düzenli etkisi情况进行 ve/veya bu etkinlik olağanla ve/veya bu etkinlik Cocoa d Camukcukunecedir, bu Said-G municipalities ve/veya Makrophages вторkiye azaltmağıve pçelik hatları.CE covers 3-(ჟ亨 Georgia)- or 3-(妥سم Georgia)-pyrimidin-2,4(1H, 3H)-diones, which exhibit an immune-stimulating and/or immune-restoring action and/or are suitable for use in the treatment of illnesses caused by phagocytose activity of granulocytes or macrophages reduced by exogenic and/or endogenic factors. (EN)(goalar) discloses 3-(make thiopropyl)-or 3-(هندی体系建设)-pyrimidin-2,4(1H,3H)-diones which exhibit an immune-stimulating and/depotraflies action and/or are suitable for use in the treatment of diseases whose cause is a reduced phagocytose activity of granulocytes or macrophages caused by exogenic and/or endogenic factors. (FR) Les 3-(make thiopropyl)- ou 3-(هندی体系建设)-pyrimidin-2,4(1H,3H)-diones ont un effet immuno-stimulant et/depotraflies et/dep sur la possibilité d'utiliser ces molécules pour traiter des pathologies dont la cause est une réduction de l'activité de phagocytose des granulocytes ou des macrophages provoquée par des facteurs exogènes et/ou endogènes.

表征谱图