N-(5-甲酰基-2-噻吩)乙酰胺 | 31167-35-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: N-(5-甲酰基-2-噻吩)乙酰胺
• 英文名称: 5-acetylaminothiophen-2-aldehyde
• 英文别名: N-(5-formyl-2-thienyl)acetamide；2-Acetamido-5-formylthiophene；5-acetylamino-thiophene-2-carbaldehyde；N-(5-formyl-thiophen-2-yl)-acetamide；5-Acetylamino-thiophen-2-carbaldehyd；5-Acetaminothiophen-2-carbaldehyd；N-(5-formylthiophen-2-yl)acetamide
• CAS: 31167-35-8
• 化学式: C₇H₇NO₂S
• mdl: MFCD01812659
• 分子量: 169.204
• InChiKey: RYHPGKJBLSYSCH-UHFFFAOYSA-N

物化性质

• 熔点：
  181-181.5 °C
• 沸点：
  405.4±30.0 °C(Predicted)
• 密度：
  1.368±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  74.4
• 氢给体数：
  1
• 氢受体数：
  3

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: N-(5-Formyl-2-thienyl)acetamide
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: N-(5-Formyl-2-thienyl)acetamide
CAS number: 31167-35-8

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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: C7H7NO2S
Molecular weight: 169.2

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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：

  N-(5-甲酰基-2-噻吩)乙酰胺 在 羟胺 作用下， 生成 5-acetylimino-4,5-dihydro-thiophene-2-carbaldehyde-oxime
  参考文献：
  名称：

  潜在的噻吩化学疗法。第四部分 对乙酰氨基苯甲醛甲醛缩氨基脲和磺胺的噻吩类似物

  摘要：

  DOI：

  10.1039/jr9550001071
• 作为产物：
  描述：

  乙酸酐 、 N,N-Dimethyl-N'-(5-formylthien-2-yl)-formamidine 以 水 、 溶剂黄146 为溶剂， 反应 0.25h， 以89%的产率得到N-(5-甲酰基-2-噻吩)乙酰胺
  参考文献：
  名称：

  The Preparation and Formylation of 2-Acetamidothiophenes

  摘要：

  DOI：

  10.1055/s-1980-28947

文献信息

• [EN] BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR<br/>[FR] DÉRIVÉ DE BENZÈNE OU DE THIOPHÈNE ET SON UTILISATION EN TANT QU'INHIBITEUR DE LA VAP-1
  申请人：R TECH UENO LTD

  公开号：WO2009145360A1

  公开（公告）日：2009-12-03

  The present invention provides a novel benzene derivative or thiophene derivative useful as a VAP-1 inhibitor, or a medicament for the prophylaxis or treatment of a VAP-1 associated disease and the like, namely, a compound represented by the formula (I): wherein each symbol is as defined in the present specification, or a pharmaceutically acceptable salt thereof.

  本发明提供了一种新颖的苯衍生物或噻吩衍生物，可用作VAP-1抑制剂，或用作预防或治疗与VAP-1相关的疾病等的药物，即由以下式（I）表示的化合物：其中每个符号如本说明书中所定义，或其药学上可接受的盐。
• [EN] OGA INHIBITOR COMPOUNDS<br/>[FR] COMPOSÉS INHIBITEURS D'OGA
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2019243531A1

  公开（公告）日：2019-12-26

  The present invention relates to O-GIcNAc hydrolase (OGA) inhibitors of formula (I). The invention is also directed to pharmaceutical compositions comprising such compounds, to processes for preparing such compounds and compositions, and to the use of such compounds and compositions for the prevention and treatment of disorders in which inhibition of OGA is beneficial, such as tauopathies in particular Alzheimer's disease or progressive supranuclear palsy; and neurodegenerative diseases accompanied by a tau pathology, in particular amyotrophic lateral sclerosis or frontotemporal lobe dementia caused by C90RF72 mutations. RB is a radical selected from the group consisting of (b-1) to (b-4).

  本发明涉及式(I)的O-GIcNAc水解酶（OGA）抑制剂。该发明还涉及包含这类化合物的药物组合物，制备这类化合物和组合物的方法，以及利用这类化合物和组合物预防和治疗OGA抑制对益处的疾病，如特别是tau病变性疾病，如阿尔茨海默病或进行性核上性麻痹症；以及伴有tau病理的神经退行性疾病，特别是由C90RF72突变引起的肌萎缩性侧索硬化或前颞叶痴呆症。RB是从（b-1）到（b-4）组成的基团中选取的基团。
• TRIARYLMETHANE COMPOUNDS AS REDOX INDICATORS IN THE SCHOENEMANN REACTION: II. SYNTHESES OF THE TRIARYLMETHANES
  作者：D. Morison Smith、R. Blanchfield、J. L. Thompson、G. A. Grant

  DOI：10.1139/v57-023

  日期：1957.2.1

  The syntheses and properties of a series of 4,4′-thenylidene bis[N,N-dimethylaniline] compounds, variously substituted in the thiophene ring, are reported. These compounds were tested as redox indicators in the Schoenemann reaction for the detection of phosphonofluoridate esters in solution. The most effective indicator was 4,4′(5-methyl-4-propyl-2-thenylidene)bis[N,N-dimethylaniline]

  报道了一系列在噻吩环中不同取代的4,4'-亚乙基双[N,N-二甲基苯胺]化合物的合成和性质。这些化合物被用作Schönenmann反应中检测溶液中磷酸氟酯酯的氧化还原指示剂。其中最有效的指示剂是4,4'(5-甲基-4-丙基-2-亚乙基)双[N,N-二甲基苯胺]。
• Préparation de quelques dérivés de l'acétylamino-5-thiophénecarbaldéhyde-2 per Bernard Miche de Malleray
  作者：Bernard Miche de Malleray

  DOI：10.1002/hlca.19710540136

  日期：——

  L'actylamino-5-thiophénecarbaléhyde-2, dont la préparation a été a améliorée, a été condensé avec des corps à méthylène actif. Certains des produits obtenus ont servi è prépaparer des acides aminés thiophéniques puis finalement le monochlorhydrate d'homolysine, corps nouveau. La condensation de l'acétylamino-5-thiophénecarbaldéhyde-2 avec l'acide malonique a fourni non pas l'acide propionique ß-aminé

  L'actylamino-5-thiophénecarbaléhyde-2，请勿制备Améliorée，一种浓缩的MéthylèneActif。某某企业的酸性产品在新的一氯合二水合赖氨酸中被硫氰酸盐类化合物最终封存。丙二酸丙二酸胺胺，丙二酸胺基（acétylamino-5-thénylidène-2）-丙二酸。
• 1-(3-AMINOPROPYL) SUBSTITUTED CYCLIC AMINE COMPOUNDS, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF
  申请人：SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES

  公开号：US20170044187A1

  公开（公告）日：2017-02-16

  Provided are 1-(3-aminopropyl) substituted cyclic amine compounds as represented by formula (I), pharmaceutically acceptable salts, enantiomers, diastereoisomers, racemates and mixtures thereof, and a method of synthesizing said 1-(3-aminopropyl) substituted cyclic amine compounds by using aromatic heterocyclic formaldehyde as raw material. Said compounds can be used as CCR 5 antagonist for the treatment of HIV infection.

  提供了以公式(I)表示的1-(3-氨基丙基)取代的环胺化合物，包括药用可接受的盐、对映体、非对映异构体、混合物和拉克酸盐，以及使用芳香杂环甲醛作为原料合成所述的1-(3-氨基丙基)取代的环胺化合物的方法。这些化合物可用作CCR 5受体拮抗剂，用于治疗HIV感染。