1,4-丁烷磺内酰胺 | 37441-50-2

• 物质功能分类: 原料药 - 人工合成抗感染类药 - 磺胺类药及增效剂
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻嗪类
• 中文名称: 1,4-丁烷磺内酰胺
• 英文名称: 1,4-butanesultam
• 英文别名: 1,2-thiazinane 1,1-dioxide；thiazinane 1,1-dioxide
• CAS: 37441-50-2
• 化学式: C₄H₉NO₂S
• mdl: MFCD04038916
• 分子量: 135.187
• InChiKey: DNGMYXZLJGHHOM-UHFFFAOYSA-N

物化性质

• 熔点：
  74-84°C
• 沸点：
  143-145 °C(Press: 0.8 Torr)
• 密度：
  1.239±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  54.6
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2934999090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  室温且干燥

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 1,4-Butanesultam
Synonyms: 1,1-Dioxo-tetrahydro-2H-1,2-thiazine

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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: 1,4-Butanesultam
CAS number: 37441-50-2

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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: C4H9NO2S
Molecular weight: 135.2

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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：

  1,4-丁烷磺内酰胺 在 盐酸 作用下， 生成 4-氨基丁烷-1-磺酸
  参考文献：
  名称：

  Feichtinger,H., Chemische Berichte, 1963, vol. 96, p. 3068 - 3075

  摘要：

  DOI：
• 作为产物：
  描述：

  4-氯丁烷-1-磺酰胺 在 sodium ethanolate 作用下， 以 乙醇 为溶剂， 反应 5.0h， 以69%的产率得到1,4-丁烷磺内酰胺
  参考文献：
  名称：

  [EN] 3-(1,1-DIOXOTETRAHYDRO-1,2-THIAZIN-2-YL) or 3-(1,1-DOXO-ISOTHIAZOLIDIN-2YL) SUBSTITUTED BENZAMIDE COMPOUNDS AS ASP2 INHIBITORS
  [FR] COMPOSES DE BENZAMIDE A SUBSTITUTION 3-(1,1-DIOXOTETRAHYDRO-1,2-THIAZIN-2-YL) OU 3-(1,1-DOXO-ISOTHIAZOLIDIN-2YL) UTILISES COMME INHIBITEURS DE L'ENZYME ASP2

  摘要：

  本发明涉及具有A sp2（β-分泌酶、BACE1或Memapsin）抑制活性的化学式（I）的羟基乙烯化合物，其制备过程，含有它们的组合物以及它们在治疗由高β-淀粉样蛋白水平或β-淀粉样蛋白沉积特征的疾病中的应用，特别是阿尔茨海默病，其中R1代表化学式Zc的基团。

  公开号：

  WO2004111022A1
• 作为试剂：
  描述：

  N-(4-fluorobenzyl)-8-hydroxy-5-bromo-1,6-naphthyridine-7-carboxamide 、 1,4-丁烷磺内酰胺 在 1,4-丁烷磺内酰胺 作用下， 生成 5-(1,1-dioxido-1,2-thiazinan-2-yl)-N-(4-fluorobenzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamide
  参考文献：
  名称：

  Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors

  摘要：

  本文介绍了包括某些喹啉羧酰胺和萘啶羧酰胺衍生物在内的Aza-和多氮杂萘基羧酰胺衍生物。这些化合物是HIV整合酶的抑制剂和HIV复制的抑制剂，可用于预防或治疗HIV感染和治疗艾滋病，作为化合物或药学上可接受的盐，或作为药物组分，可选择与其他抗病毒药物、免疫调节剂、抗生素或疫苗组合使用。还介绍了预防、治疗或延缓艾滋病发作的方法以及预防或治疗HIV感染的方法。

  公开号：

  US06921759B2

文献信息

• [EN] PYRIDINE CARBOXAMIDE AND METHODS FOR INHIBITING HIV INTEGRASE<br/>[FR] CARBOXAMIDE DE PYRIDINE ET METHODES PERMETTANT D'INHIBER L'INTEGRASE DU VIH
  申请人：VIROCHEM PHARMA INC

  公开号：WO2005042524A1

  公开（公告）日：2005-05-12

  Compounds of formula (I): wherein R1, R2, R4, R10, R11, and Q are as defined herein, and their pharmaceutically acceptable salts, are useful in the prevention or treatment of HIV infections.

  式(I)的化合物：其中R1、R2、R4、R10、R11和Q如本文所定义，并且它们的药用盐，在预防或治疗HIV感染方面是有用的。
• Low Catalyst Loadings for Ligand-Free Copper(I)-Oxide-Catalyzed<i>N</i>-Arylation of Methanesulfonamide in Water
  作者：Bryan Yong-Hao Tan、Yong-Chua Teo、Ai-Hua Seow

  DOI：10.1002/ejoc.201301561

  日期：2014.3

  A simple and practical protocol for the cross-coupling of methanesulfonamide and aryl iodides under ligand-free copper(I)-oxide-catalyzed conditions in water is reported. The method allows the preparation of a wide variety of synthetically useful N-arylated methanesulfonamides in good to excellent yields (up to 90 %) under the optimized conditions.

  报告了在水中无配体铜 (I)-氧化物催化条件下甲磺酰胺和芳基碘化物交叉偶联的简单实用方案。该方法允许在优化条件下以良好到极好的产率（高达 90%）制备各种合成有用的 N-芳基化甲磺酰胺。
• HIV INTEGRASE INHIBITORS
  申请人：ViiV Healthcare Company

  公开号：US20150225399A1

  公开（公告）日：2015-08-13

  The present invention features compounds that are HIV integrase inhibitors and therefore are useful in the inhibition of HIV replication, the prevention and/or treatment of infection by HIV, and in the treatment of AIDS and/or ARC.

  本发明具有作为HIV整合酶抑制剂的化合物，因此在抑制HIV复制、预防及/或治疗HIV感染以及治疗艾滋病及/或艾滋病相关综合症方面具有用途。
• ALDOSTERONE SYNTHASE INHIBITORS
  申请人：BALESTRA Michael

  公开号：US20140323468A1

  公开（公告）日：2014-10-30

  The present invention relates to compounds of formula (I): and pharmaceutically acceptable salts thereof, wherein R 1 , R 2 . R 3 , R 4 , R 5 , R 6 , R 7 , W, Y, m and n 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.

  本发明涉及以下式（I）的化合物及其药学上可接受的盐，其中R1、R2、R3、R4、R5、R6、R7、W、Y、m和n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紊乱的方法，制备这些化合物的方法以及在这些过程中有用的中间体。
• Heterocyclic antiviral compounds
  申请人：Blake F. James

  公开号：US20060252785A1

  公开（公告）日：2006-11-09

  Compounds having the formula I wherein A, m and R 1 are herein defined are Hepatitis C virus NS5b polymerase inhibitors. Also disclosed are compositions and methods for inhibiting hepatitis replication, processes for making the compounds and synthetic intermediates used in the process

  具有公式I的化合物，其中A、m和R1如本文所定义，是丙型肝炎病毒NS5b聚合酶抑制剂。还公开了用于抑制肝炎复制的组合物和方法，用于制备这些化合物的工艺以及工艺中使用的合成中间体。

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