2-乙基-3-甲酰基苯并呋喃 | 10035-41-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 中文名称: 2-乙基-3-甲酰基苯并呋喃
• 中文别名: 2-乙基苯并呋喃-3-甲醛
• 英文名称: 2-ethyl-benzofuran-3-carbaldehyde
• 英文别名: 2-Aethyl-benzofuran-3-carbaldehyd；2-ethyl-1-benzofuran-3-carbaldehyde；2-Ethyl-3-formylbenzofuran
• CAS: 10035-41-3
• 化学式: C₁₁H₁₀O₂
• mdl: MFCD01823092
• 分子量: 174.199
• InChiKey: LVRCCWCFOHNTLJ-UHFFFAOYSA-N

物化性质

• 沸点：
  148-150 °C(Press: 15 Torr)
• 密度：
  1.154±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.181
• 拓扑面积：
  30.2
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2932999099
• WGK Germany：
  3
• 储存条件：
  储存温度：2-8℃，请保持干燥。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-Ethyl-1-benzofuran-3-carbaldehyde
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: 2-Ethyl-1-benzofuran-3-carbaldehyde
CAS number: 10035-41-3

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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: C11H10O2
Molecular weight: 174.2

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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.

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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：

  2-乙基-3-甲酰基苯并呋喃 在 盐酸羟胺 、 sodium carbonate 作用下， 以 乙醇 为溶剂， 反应 50.0h， 生成 1-acetoxy-2-(3-ethyl-isoxazol-4-yl)-benzene
  参考文献：
  名称：

  Royer,R.; Bisagni,E., Bulletin de la Societe Chimique de France, 1963, p. 1746 - 1752

  摘要：

  DOI：
• 作为产物：
  描述：

  2-乙酰基苯并呋喃 在 一水合肼 、 三氯氧磷 、 二乙二醇 作用下， 生成 2-乙基-3-甲酰基苯并呋喃
  参考文献：
  名称：

  Bisagni et al., Journal of the Chemical Society, 1955, p. 3688,3692

  摘要：

  DOI：

文献信息

• [EN] PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY<br/>[FR] DÉRIVÉS DE PYRROLIDINE, COMPOSITIONS PHARMACEUTIQUES LES CONTENANT, ET LEUR UTILISATION EN THÉRAPIE
  申请人：ABBVIE DEUTSCHLAND

  公开号：WO2014140310A1

  公开（公告）日：2014-09-18

  The present invention relates to pyrrolidine derivatives of formula (I), or a physiologically tolerated salt thereof. The invention relates to pharmaceutical compositions comprising such pyrrolidine derivatives, and the use of such pyrrolidine derivatives for therapeutic purposes. The pyrrolidine derivatives are GlyT1 inhibitors.

  本发明涉及式(I)的吡咯烷衍生物，或其生理耐受盐。该发明涉及包含此类吡咯烷衍生物的药物组合物，以及利用此类吡咯烷衍生物进行治疗的用途。这些吡咯烷衍生物是GlyT1抑制剂。
• HETEROCYCLIC COMPOUND
  申请人：Banno Yoshihiro

  公开号：US20120053173A1

  公开（公告）日：2012-03-01

  Provision of a prophylactic or therapeutic agent for diabetes, which has superior efficacy. A compound represented by the formula: wherein each symbol is as described in the specification, or a salt thereof.

  为糖尿病提供一种具有卓越疗效的预防或治疗药物。该化合物由以下公式表示：其中每个符号如规范所述，或其盐。
• [EN] NOVEL COMPOUNDS AND THEIR USE<br/>[FR] NOUVEAUX COMPOSÉS ET LEUR UTILISATION
  申请人：DEBIOPHARM INT SA

  公开号：WO2022268890A1

  公开（公告）日：2022-12-29

  The present invention provides compounds of the general formula (I) or a pharmaceutically acceptable prodrugs, salts and/or solvates thereof, wherein LHS is formula (II). And wherein, the asterisk (*) marks the point of attachment; These compounds exhibit antibacterial activity against Gram-negative and Gram-positive bacteria, especiallyS. aureus, E. coli, K. pneumoniaeandA. baumannii. Pharmaceutical compositions containing these compounds, therapeutic uses thereof and methods for manufacturing the same are also provided.

  本发明提供了通式(I)化合物或其药物可接受的前药、盐和/或溶剂化物，其中LHS为式(II)。其中，星号(*)标记附着点; 这些化合物对革兰氏阴性和革兰氏阳性细菌，特别是金黄色葡萄球菌、大肠杆菌、肺炎克雷伯菌和鲍曼不动杆菌具有抗菌活性。还提供了含有这些化合物的药物组合物、其治疗用途和制造方法。
• URAT1 INHIBITOR AND USE THEREOF
  申请人：Jiangsu Atom Bioscience And Pharmaceutical Co., Ltd.

  公开号：EP3543240A1

  公开（公告）日：2019-09-25

  Disclosed are a class of URAT1 inhibitor compounds and the use of such compounds. These compounds are compounds represented by the structure of formula (I) or pharmaceutically acceptable salts thereof. Experiments show that the compounds provided by the present invention have a very good inhibitory effect on hURAT1-transported uric acid in HEK293 transfected cells, and show that such compounds have a good potential for application in the treatment of hyperuricemia or gout.

  本发明公开了一类URAT1抑制剂化合物及其用途。这些化合物是由式（I）结构代表的化合物或其药学上可接受的盐类。实验表明，本发明提供的化合物对HEK293转染细胞中hURAT1转运的尿酸具有很好的抑制作用，并表明此类化合物在治疗高尿酸血症或痛风方面具有很好的应用潜力。
• NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME FOR ENHANCING ANTICANCER ACTIVITY
  申请人：Holosmedic

  公开号：EP3903786A1

  公开（公告）日：2021-11-03

  The present invention relates to a novel compound and a pharmaceutical composition for enhancing anticancer activity, which includes the same, and more particularly, to a pharmaceutical composition, which includes a compound represented by Formula 1 or a pharmaceutically acceptable salt thereof, thereby enhancing anticancer activity of an anticancer agent or radiation, and inducing proliferation inhibition and death of cancer cells, resulting in effectively treating cancer: In Formula 1, n is an integer of 0 to 4; R1 is hydrogen, C1 to C10 alkyl or aryl(C1 to C4)alkyl; R3 is C1 to C6 alkyl, and when there are a plurality of the R3, the R3s are the same or different; L1 is a direct bond, or C1 to C6 alkylene; R2 is hydrogen, C1 to C10 alkyl or aryl(C1 to C4)alkyl, and R4 is hydrogen, C1 to C4 alkyl, C3 to C8 cycloalkyl or aryl(C1 to C4)alkyl, or R2 and R4 are connected to form a 4 to 7-membered ring; and the alkyl of R1 to R4, the arylalkyl of R1, R2 and R4, the cycloalkyl of R4, the alkylene of L1 are each independently unsubstituted or substituted with a substituent such as a C1 to C6 alkyl group, a halo group, an aryl group, a haloalkyl group, a nitro group, a cyano group, an alkylthio group or an arylalkylthio group, and when the compound is substituted with a plurality of substituents, the substituents are the same or different.

  本发明涉及一种新型化合物和一种增强抗癌活性的药物组合物，其中包括相同的化合物，更具体地说，涉及一种药物组合物，其中包括式 1 所代表的化合物或其药学上可接受的盐，从而增强抗癌剂或辐射的抗癌活性，诱导癌细胞增殖抑制和死亡，从而有效治疗癌症： 在式 1 中 n 是 0 至 4 的整数； R1是氢、C1～C10烷基或芳基（C1～C4）烷基；R3是C1～C6烷基，当R3有多个时，R3相同或不同； L1 是直接键，或 C1 至 C6 亚烷基；R2 是氢、C1 至 C10 烷基或芳基（C1 至 C4）烷基，R4 是氢、C1 至 C4 烷基、C3 至 C8 环烷基或芳基（C1 至 C4）烷基，或 R2 和 R4 连接形成 4 至 7 元环；以及 R1 至 R4 的烷基，R1、R2 和 R4 的芳烷基，R4 的环烷基，L1 的亚烷基各自独立地未被取代或被取代基取代，如 C1 至 C6 烷基、卤代基团、芳基、卤代烷基、硝基、氰基、烷硫基或芳烷硫基，当化合物被多个取代基取代时，取代基相同或不同。