3-甲氧基噻吩-2-甲醛 | 35134-07-7

• 物质功能分类: 医药中间体 - 杂环化合物 - 噻吩类化合物
• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 3-甲氧基噻吩-2-甲醛
• 中文别名: L-硫代脯氨酸；(1R,2R)-1,2-二苯基乙二胺；(1R,2R)-二苯基乙二胺
• 英文名称: 3-methoxythiophene-2-carbaldehyde
• 英文别名: 3-methoxythiophene-2-carboxaldehyde；3-methoxy-2-thiophenecarbaldehyde；3-methoxy-2-thiophenecarboxaldehyde
• CAS: 35134-07-7
• 化学式: C₆H₆O₂S
• mdl: MFCD01571098
• 分子量: 142.178
• InChiKey: KGJDTMQUUPIAEF-UHFFFAOYSA-N

物化性质

• 熔点：
  84℃
• 沸点：
  255.8±20.0 °C(Predicted)
• 密度：
  1.240±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.166
• 拓扑面积：
  54.5
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 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

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
3-Methoxythiophene-2-carbaldehyde
Product Name:
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H315: Causes skin irritation
H319: Causes serious eye irritation
H335: May cause respiratory irritation
P261: Avoid breathing dust/fume/gas/mist/vapours/spray
Wear protective gloves/protective clothing/eye protection/face protection
P280:
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing
P304+P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing
P405: Store locked up

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Section 3. Composition/information on ingredients.
3-Methoxythiophene-2-carbaldehyde
Ingredient name:
CAS number: 35134-07-7

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Section 4. First aid measures
Immediately wash skin with copious amounts of water for at least 15 minutes while removing
Skin contact:
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.
Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.
Ingestion:

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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.
Storage: Store in closed vessels, refrigerated.

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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
Not specified
Appearance:
Boiling point: No data
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C6H6O2S
Molecular weight: 142.2

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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, 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：

  3-甲氧基噻吩-2-甲醛 在 三溴化硼 作用下， 生成 3-hydroxythiophene-2-carbaldehyde
  参考文献：
  名称：

  Synthesis and electrochemistry of new thienyl – Schiff base complexes

  摘要：

  报告了两种新的噻吩基取代席夫碱配体的镍（II）、铜（II）和钒（[V=O]2+）配合物的合成和表征。其中一些配合物的循环伏安法显示出氧化波，但没有一种配合物在反复循环后形成导电聚合物薄膜。紫外可见吸收光谱显示，其中一些配合物显示出增强的共轭作用，这些发色团上形成的自由基阳离子似乎过于稳定，无法进行氧化偶联：希夫碱、丹参、共轭聚合物、电化学。

  DOI：

  10.1139/v08-143
• 作为产物：
  描述：

  3-甲氧基噻吩 在 正丁基锂 作用下， 以 正己烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 3-甲氧基噻吩-2-甲醛
  参考文献：
  名称：

  US6184245

  摘要：

  公开号：
• 作为试剂：
  描述：

  (R)-2-(9-(pyridin-2-yl)-6-oxaspiro[4.5]decan-9-yl)ethanamine 、 3-甲氧基噻吩-2-甲醛 在 3-甲氧基噻吩-2-甲醛 作用下， 生成 TRV-130抑制剂
  参考文献：
  名称：

  J. Med. Chem. 2013, 56, 8019-8031

  摘要：

  DOI：

文献信息

• Cycloalkyl tachykinin receptor antagonists
  申请人：Merck & Co., Inc.

  公开号：US05750549A1

  公开（公告）日：1998-05-12

  The present invention is directed to certain novel compounds represented by structural formula I: ##STR1## or a pharmaceutically acceptable salt thereof, wherein R.sup.3, R.sup.6, R.sup.7, R.sup.8, R.sup.11, R.sup.12, R.sup.13, A, Q, W, X, Y, Z and n are defined herein. The invention is also concerned with pharmaceutical formulations comprising these novel compounds as active ingredients and the use of the novel compounds and their formulations in the treatment of certain disorders. The compounds of this invention are tachykinin receptor antagonists and are useful in the treatment of inflammatory diseases, pain or migraine, asthma and emesis.

  本发明涉及由结构式I表示的某些新化合物：##STR1##或其药学上可接受的盐，其中R.sup.3、R.sup.6、R.sup.7、R.sup.8、R.sup.11、R.sup.12、R.sup.13、A、Q、W、X、Y、Z和n在此处定义。本发明还涉及包含这些新化合物作为活性成分的药物配方，以及在治疗某些疾病中使用这些新化合物及其配方。本发明的化合物是催吐肽受体拮抗剂，可用于治疗炎症性疾病、疼痛或偏头痛、哮喘和呕吐。
• [EN] BICYCLIC CARBOXYLATES AS MODULATORS OF TRANSPORTERS AND USES THEREOF<br/>[FR] CARBOXYLATES BICYCLIQUES UTILISÉS EN TANT QUE MODULATEURS DE TRANSPORTEURS ET LEURS UTILISATIONS
  申请人：NIROGY THERAPEUTICS INC

  公开号：WO2021061929A1

  公开（公告）日：2021-04-01

  The present invention generally relates to the field of transporter modulators, e.g., monocarboxylate transporter inhibitors, and more particularly to new bicyclic enone carboxylate compounds, the synthesis and use of these compounds and their pharmaceutical compositions, e.g., in the treatment, modulation and/or prevention of physiological conditions associated with monocarboxylate transporter activity such as in treating cancer and other neoplastic disorders, tissue and organ transplant rejection.

  本发明通常涉及转运体调节剂领域，例如单羧酸转运体抑制剂，更具体地涉及新的双环烯酮羧酸酯化合物，这些化合物的合成和使用以及它们的药物组合物，例如在治疗、调节和/或预防与单羧酸转运体活性相关的生理状况，如治疗癌症和其他肿瘤性疾病、组织和器官移植排斥等方面的应用。
• [EN] COMBINATIONS OF OPIOID RECEPTOR LIGANDS AND CYTOCHROME P450 INHIBITORS<br/>[FR] COMBINAISONS DE LIGANDS DE RÉCEPTEURS OPIOÏDES ET D'INHIBITEURS DU CYTOCHROME P450
  申请人：TREVENA INC

  公开号：WO2017106547A1

  公开（公告）日：2017-06-22

  This application described compounds that can act as opioid receptor ligands, and compositions comprising the compounds and cytochrome P450 inhibitors, which can be used in the treatment of, for example, pain and pain related disorders.

  这种应用描述了可以作为阿片受体配体的化合物，以及包含这些化合物和细胞色素P450抑制剂的组合物，可以用于治疗例如疼痛和与疼痛相关的疾病。
• 阿片受体激动剂及其应用
  申请人：四川海思科制药有限公司

  公开号：CN109206417B

  公开（公告）日：2023-01-03

  本申请描述了可以用作阿片受体配体的化合物及其盐，及制备方法和含有该化合物的组合物，及其可以作为μ阿片受体激动剂的用途，用于治疗μ阿片受体介导的相关疾病，如疼痛和疼痛相关的紊乱。
• OPIOID RECEPTOR LIGANDS AND METHODS OF USING AND MAKING SAME
  申请人：Yamashita Dennis

  公开号：US20120245181A1

  公开（公告）日：2012-09-27

  This application describes compounds that can act as opioid receptor ligands, which compounds can be used in the treatment of, for example, pain and pain related disorders.

  这种应用描述了可以作为阿片受体配体的化合物，这些化合物可以用于治疗例如疼痛和与疼痛相关的疾病。

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