对甲苯磺酰甘氨酸甲酯 | 2645-02-5

• 物质功能分类: 生物化工 - 氨基酸及其衍生物 - 甘氨酸类衍生物
• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 对甲苯磺酰甘氨酸甲酯
• 中文别名: 对甲苯磺酰甘胺酸甲酯
• 英文名称: methyl tosylglycinate
• 英文别名: methyl 2-(p-tolylsulfonylamino) acetate；methyl 2-(4-methylphenylsulfonamido)acetate；p-toluenesulfonylglycine methyl ester；methyl 2-[(4-methylphenyl)sulfonylamino]acetate
• CAS: 2645-02-5
• 化学式: C₁₀H₁₃NO₄S
• mdl: MFCD00558890
• 分子量: 243.284
• InChiKey: GYQBPYXMRNEAKZ-UHFFFAOYSA-N

物化性质

• 熔点：
  89-91°C
• 沸点：
  372.5±52.0 °C(Predicted)
• 密度：
  1.261
• 溶解度：
  可溶于氯仿（少许）、甲醇（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  80.8
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 海关编码：
  2935009090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  室温且干燥环境下保存。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: methyl 2-[(4-methylbenzene)sulfonamido]acetate
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: methyl 2-[(4-methylbenzene)sulfonamido]acetate
CAS number: 2645-02-5

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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: C10H13NO4S
Molecular weight: 243.3

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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：

  对甲苯磺酰甘氨酸甲酯 在 bis(dibenzylideneacetone)-palladium⁽⁰⁾ lithium aluminium tetrahydride 、 sodium hydride 、 pyridinium chlorochromate 、 1,2-双(二苯基膦)乙烷 作用下， 以 四氢呋喃 为溶剂， 生成 N-(2-cyclopropylideneethyl)-N-tosylaminoethanal
  参考文献：
  名称：

  Intramolecular Cyclocarbonylation of Cyclopropylidenyl Aldehydes Mediated by Molybdenum Carbonyl Complex

  摘要：

  本研究介绍了一种通过钼介导的环羰基化反应从环丙基亚烯醛合成顺式双环螺环丙内酯的新方法。使用 (C7H8)Mo(CO)3 与二甲基亚砜（DMSO）来促进反应，形成了一种高效、便捷的三组份组装方案，产量很高。

  DOI：

  10.1055/s-2004-830849
• 作为产物：
  描述：

  sodium p-toluenesulfonamide 在 bis(dibenzylideneacetone)-palladium⁽⁰⁾ sodium hydroxide 、 臭氧 、 三苯基膦 作用下， 以 四氢呋喃 、 二甲基亚砜 为溶剂， 反应 22.0h， 生成 对甲苯磺酰甘氨酸甲酯
  参考文献：
  名称：

  通过钯催化的烯丙基取代合成N-保护的氨基酯

  摘要：

  N-保护的烯丙胺是通过钯催化的相应的乙酸烯丙酯的烯丙基取代为一系列的氮亲核试剂而制备的。将如此形成的N-保护的烯丙基胺进行烯烃的氧化裂解，得到N-保护的氨基酸或酯。

  DOI：

  10.1016/0040-4039(93)88120-8
• 作为试剂：
  描述：

  罗沙司他中间体 、 对甲苯磺酰甘氨酸甲酯 在 对甲苯磺酰甘氨酸甲酯 作用下， 生成 2-[(甲氧基羰基甲基)(甲苯-4-磺酰)氨基]甲基-4-苯氧基苯甲酸甲酯
  参考文献：
  名称：

  [EN] CRYSTALLINE FORMS OF A PROLYL HYDROXYLASE INHIBITOR
  [FR] FORMES CRISTALLINES D'UN INHIBITEUR DE LA PROLYL HYDROXYLASE

  摘要：

  本公开涉及[(4-羟基-1-甲基-7-苯氧基-异喹啉-3-羧酰基)-氨基]-乙酸的结晶固体形式、制备这些形式的过程以及其制药组合物和使用方法。

  公开号：

  WO2014014835A2

文献信息

• 一种呋喃[2，3-c]并吡啶衍生物及其制备方法 和用途
  申请人：济南新科医药科技有限公司

  公开号：CN110305143B

  公开（公告）日：2021-03-09

  本发明公开了一类强效的脯氨酰羟化酶抑制剂，本发明涉及具有式I结构的化合物，还涉及其药学上可接受的盐和溶剂合物。本发明还涉及含有式I结构化合物的药物组合物及其制药用途。通过抑制脯氨酰羟化酶活性可有效治疗贫血的相关疾病。
• Green Esterification of Carboxylic Acids Promoted by <i>tert</i> ‐Butyl Nitrite
  作者：Yonggao Zheng、Yanwei Zhao、Suyan Tao、Xingxing Li、Xionglve Cheng、Gangzhong Jiang、Xiaobing Wan

  DOI：10.1002/ejoc.202100326

  日期：2021.5.14

  TBN‐catalyzed green esterification of carboxylic acids has been developed, which features a broad range of substrates and excellent functional groups tolerance. The mechanistic study confirmed that the nitrous acid formed in situ in the system is the actual catalyst for this transformation.

  已经开发了TBN催化的羧酸绿色酯化反应，它具有多种底物和出色的官能团耐受性。机理研究证实，在系统中原位形成的亚硝酸是该转化的实际催化剂。
• [EN] INHIBITORS OF THE HIV INTEGRASE ENZYME<br/>[FR] INHIBITEURS DE L'ENZYME INTEGRASE DU VIH
  申请人：PFIZER

  公开号：WO2006027694A1

  公开（公告）日：2006-03-16

  The present invention relates to compounds of formula (I), or a pharmaceutically acceptable salt or solvate thereof, pharmaceutical compositions comprisingm compounds of formula (I), and their methods of use in treating HIV-infected mammals.

  本发明涉及公式(I)的化合物，或其药物可接受的盐或溶剂化物，包含公式(I)化合物的药物组合物，以及它们在治疗HIV感染哺乳动物中的用途方法。
• [EN] NAPHTHYRIDINE DERIVATIVES AS INHIBITORS OF HYPOXIA INDUCIBLE FACTOR (HIF) HYDROXYLASE<br/>[FR] DÉRIVÉS DE NAPHTHYRIDINE EN TANT QU'INHIBITEURS D'UN FACTEUR INDUCTIBLE PAR L'HYPOXIE
  申请人：FIBROGEN INC

  公开号：WO2012106472A1

  公开（公告）日：2012-08-09

  The present disclosure relates to novel compounds, methods, and compositions capable of inhibiting HIF hydroxylase enzyme activity, thereby increasing the stability and/or activity of hypoxia inducible factor (HIF).

  本公开涉及能够抑制HIF羟化酶活性的新化合物、方法和组合物，从而增加缺氧诱导因子（HIF）的稳定性和/或活性。
• ANTIVIRAL 1,3-DI-OXO-INDENE COMPOUNDS
  申请人：Novartis AG

  公开号：US20210323947A1

  公开（公告）日：2021-10-21

  The invention provides compounds of Formula (I): as described herein, along with pharmaceutically acceptable salts, pharmaceutical compositions containing such compounds, and methods to use these compounds, salts and compositions for treating viral infections.

  这项发明提供了如下式（I）的化合物： 如本文所述，以及包含这些化合物的药用盐、含有这些化合物的药物组合物，以及治疗病毒感染的方法。