2-氨基-4-环丙基噻吩-3-羧酸乙酯 | 120109-75-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 中文名称: 2-氨基-4-环丙基噻吩-3-羧酸乙酯
• 英文名称: 4-cyclopropyl-3-ethoxycarbonyl-2-aminothiophene
• 英文别名: 4-Cyclopropyl-3-carbethoxy-2-aminothiophene；2-amino-4-cyclopropyl-thiophene-3-carboxylic acid ethyl ester；ethyl 2-amino-4-cyclopropylthiophene-3-carboxylate
• CAS: 120109-75-3
• 化学式: C₁₀H₁₃NO₂S
• mdl: MFCD02601797
• 分子量: 211.285
• InChiKey: OUDJEFKPUDVQBS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  80.6
• 氢给体数：
  1
• 氢受体数：
  4

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: Ethyl 2-amino-4-cyclopropylthiophene-3-carboxylate
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: Ethyl 2-amino-4-cyclopropylthiophene-3-carboxylate
CAS number: 120109-75-3

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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.
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: C10H13NO2S
Molecular weight: 211.3

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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：

  2-氨基-4-环丙基噻吩-3-羧酸乙酯 在 硝酸乙酸酐 作用下， 以 氯仿 、 乙酸酐 、 苯 为溶剂， 反应 7.0h， 生成 Ethyl 2-acetamido-4-cyclopropyl-5-nitrothiophene-3-carboxylate
  参考文献：
  名称：

  Synthesis and nitration of some 4-cyclopropyl- and 4-(p-cyclopropylphenyl)-2-aminothiophenes

  摘要：

  DOI：

  10.1007/bf00479336
• 作为产物：
  描述：

  ethyl 2-cyano-3-cyclopropyl-2-butenoate 在 sulfur 、 二乙胺 作用下， 以 乙醇 为溶剂， 以90%的产率得到2-氨基-4-环丙基噻吩-3-羧酸乙酯
  参考文献：
  名称：

  Synthesis and nitration of some 4-cyclopropyl- and 4-(p-cyclopropylphenyl)-2-aminothiophenes

  摘要：

  DOI：

  10.1007/bf00479336

文献信息

• NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS
  申请人：Carroll William A.

  公开号：US20090018114A1

  公开（公告）日：2009-01-15

  The present application relates to cannabinoid receptor ligands containing compounds of formula (I) wherein A, R 1 , R 2 , and R 3 are as defined in the specification. The present application also relates to compositions comprising such compounds, and methods of treating conditions and disorders using such compounds and compositions.

  本申请涉及含有式(I)化合物的大麻素受体配体，其中A、R1、R2和R3如规范中所定义。本申请还涉及包含这种化合物的组合物，以及使用这种化合物和组合物治疗疾病和疾病的方法。
• Thieno pyrazine diones, their preparation and use
  申请人：Novo Nordisk A/S

  公开号：US05284847A1

  公开（公告）日：1994-02-08

  Novel thieno[2,3-b]pyrazine-2,3(1H,3H)-diones or tautomeric forms thereof of the formula (I) ##STR1## The compounds are useful in the treatment of neurological and psychiatric diseases.

  新型噻吩并[2,3-b]吡嗪-2,3(1H,3H)-二酮或其互变异构体的化学式(I)如下：##STR1## 这些化合物在治疗神经系统和精神疾病方面具有用途。
• Therapeutically Active Fused Pyrimidine Derivatives
  申请人：Brookings Daniel Christopher

  公开号：US20140309222A1

  公开（公告）日：2014-10-16

  A series of monocyclic or bicyclic diamine-substituted thieno[2,3-d]pyrimidine and isothiazolo[5,4-d]pyrimidine derivatives are beneficial in the treatment and/or prevention of various human ailments, including inflammatory, autoimmune and oncological disorders; viral diseases; and organ and cell transplant rejection.

  一系列单环或双环二胺取代的噻吩[2,3-d]嘧啶和异噻唑[5,4-d]嘧啶衍生物在治疗和/或预防各种人类疾病方面具有益处，包括炎症性、自身免疫和肿瘤性疾病；病毒性疾病；以及器官和细胞移植排斥。
• [EN] NON-FUSED THIOPHENE DERIVATIVES AND THEIR USES<br/>[FR] DÉRIVÉS DE THIOPHÈNE NON FUSIONNÉS ET LEURS UTILISATIONS
  申请人：ENYO PHARMA

  公开号：WO2019154953A1

  公开（公告）日：2019-08-15

  The present invention relates to a new class of non-fused thiophene derivatives and their uses for treating diseases such as infection, cancer, metabolic diseases, cardiovascular diseases, iron storage disorders and inflammatory disorders.

  本发明涉及一类新型非融合噻吩衍生物及其用于治疗感染、癌症、代谢性疾病、心血管疾病、铁贮存紊乱和炎症性疾病等疾病的用途。
• Design and synthesis of a novel, orally active, brain penetrant, tri-substituted thiophene based JNK inhibitor
  作者：Simeon Bowers、Anh P. Truong、R. Jeffrey Neitz、Martin Neitzel、Gary D. Probst、Roy K. Hom、Brian Peterson、Robert A. Galemmo、Andrei W. Konradi、Hing L. Sham、Gergley Tóth、Hu Pan、Nanhua Yao、Dean R. Artis、Elizabeth F. Brigham、Kevin P. Quinn、John-Michael Sauer、Kyle Powell、Lany Ruslim、Zhao Ren、Frédérique Bard、Ted A. Yednock、Irene Griswold-Prenner

  DOI：10.1016/j.bmcl.2011.01.046

  日期：2011.3

  The SAR of a series of tri-substituted thiophene JNK3 inhibitors is described. By optimizing both the N-aryl acetamide region of the inhibitor and the 4-position of the thiophene we obtained single digit nanomolar compounds, such as 47, which demonstrated an in vivo effect on JNK activity when dosed orally in our kainic acid mouse model as measured by phospho-c-jun reduction.