N-环丙基-甲酰胺 | 58644-54-5

• 物质功能分类: 医药中间体 - 原料药中间体
• 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: N-环丙基-甲酰胺
• 中文别名: N-环丙基甲酰胺
• 英文名称: N-cyclopropylformamide
• 英文别名: cyclopropylformamide
• CAS: 58644-54-5
• 化学式: C₄H₇NO
• 分子量: 85.1057
• InChiKey: AWQVKAURKXXOCG-UHFFFAOYSA-N

物化性质

• 沸点：
  227.2±7.0 °C(Predicted)
• 密度：
  1.04±0.1 g/cm3(Predicted)
• 溶解度：
  可溶于二氯甲烷、乙酸乙酯、甲醇

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  6
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 海关编码：
  2924299090
• 储存条件：
  室温

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: N-Cyclopropylformamide
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-Cyclopropylformamide
CAS number: 58644-54-5

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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, 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: C4H7NO
Molecular weight: 85.1

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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.

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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-环丙基-甲酰胺 在 lithium aluminium tetrahydride 、 盐酸 作用下， 以 四氢呋喃 、 甲醇 、 乙醚 为溶剂， 反应 18.0h， 生成 N-甲基环丙胺盐酸盐
  参考文献：
  名称：

  Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors

  摘要：

  本发明涉及式I的蛋白激酶抑制剂，可用于治疗各种疾病，特别是癌症、炎症或中枢神经系统疾病。还涉及含有根据本发明的化合物的药物组合物及其在治疗中的应用。

  公开号：

  US20090042876A1
• 作为产物：
  描述：

  环丙胺 、 甲酸乙酯 反应 5.0h， 以84%的产率得到N-环丙基-甲酰胺
  参考文献：
  名称：

  [EN] TRIAZOLONES DERIVATIVES FOR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE
  [FR] DÉRIVÉS DE TRIAZOLONES POUR UTILISATION DANS LE TRAITEMENT, LE SOULAGEMENT OU LA PRÉVENTION D'UNE MALADIE VIRALE

  摘要：

  本发明涉及具有一般式（I）的化合物，可选地以药用可接受的盐、溶剂合物、多晶形态、前药、互变异构体、拉克米特、共药、共晶、对映体或二对映体或其混合物的形式存在，该化合物在治疗、缓解或预防病毒性疾病方面具有用途。此外，还披露了具体的联合疗法。

  公开号：

  WO2017046318A1
• 作为试剂：
  描述：

  benzyl (6-(hydrazinecarbonyl)pyridin-2-yl)carbamate 、 N-环丙基-甲酰胺 、 环丙胺 、 三氟乙酸 在 甲醇乙酸乙酯 、 → 、 甲醇 、 乙酸乙酯 、 desired compound 、 N-环丙基-甲酰胺 、 resultant suspension 作用下， 以 甲苯 为溶剂， 反应 24.0h， 以to provide benzyl 6-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)pyridin-2-ylcarbamate (680 mg)的产率得到benzyl (6-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)pyridin-2-yl)carbamate
  参考文献：
  名称：

  APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS

  摘要：

  本发明涉及式(I)的化合物：其中X1，X2，X3，X4，X5，X6，X7，X8，R1，R2，R3如上所定义。该化合物具有凋亡信号调节激酶（“ASK1”）抑制活性，因此在治疗ASK1介导的疾病中有用，包括自身免疫性疾病，炎症性疾病，心血管疾病和神经退行性疾病。本发明还涉及包含一种或多种式(I)化合物的制药组合物，以及制备式(I)化合物的方法。

  公开号：

  US20130035339A1

文献信息

• N-Alkyl-N-iminomethyl derivatives of thienamycin
  申请人：Merck & Co., Inc.

  公开号：US04309438A1

  公开（公告）日：1982-01-05

  Disclosed are N-alkyl-N-iminomethyl derivatives of thienamycin which may be represented by the following structural formula: ##STR1## wherein R.sup.5 is, inter alia, alkyl, alkenyl, aryl, or aralkyl, R.sup.6 is selected from R, OR, SR and NR.sup.1 R.sup.2 wherein R is, inter alia, hydrogen and substituted or unsubstituted: alkyl, alkenyl, alkynyl, cycloalkyl, cycloalkylalkyl, aryl, aralkyl, heteroaryl, heteroaralkyl, heterocyclyl, and heterocyclylalkyl; and R.sup.1 and R.sup.2 are hydrogen or R. Such compounds, including their O-- and carboxyl derivatives are useful as antibiotics. Also dislosed are processes for the preparation of such compounds: pharmaceutical compositions comprising such compounds; and methods of treatment comprising administering such compounds and compositions when an antibiotic effect is indicated.

  公开了噻烯霉素的N-烷基-N-亚氨基甲基衍生物，其可以由以下结构式表示：##STR1##其中R5包括但不限于烷基、烯基、芳基或芳烷基，R6选自R、OR、SR和NR1R2，其中R包括但不限于氢以及取代或未取代的：烷基、烯基、炔基、环烷基、环烷基烷基、芳基、芳烷基、杂芳基、杂芳烷基、杂环基和杂环基烷基；R1和R2为氢或R。这些化合物，包括它们的O-和羧基衍生物，作为抗生素具有用途。还公开了制备这些化合物的工艺：包含这些化合物的药物组合物；以及治疗方法，包括在需要抗生素效果时给予这些化合物和组合物。
• A substituent- and temperature-controllable NHC-derived zwitterionic catalyst enables CO₂ upgrading for high-efficiency construction of formamides and benzimidazoles
  作者：Zhaozhuo Yu、Zhengyi Li、Lilong Zhang、Kaixun Zhu、Hongguo Wu、Hu Li、Song Yang

  DOI：10.1039/d1gc01897c

  日期：——

  zwitterionic catalyst for efficient CO2 reductive upgrading via either N-formylation or further coupling with cyclization under mild conditions (25 °C, 1 atm CO2) using hydrosilane as a hydrogen source. More than 30 different alkyl and aromatic amines could be transformed into the corresponding formamides or benzimidazoles with remarkable yields (74%–98%). The electronic effect of the introduced substituent

  近年来，将温室气体CO 2化学催化升级为有价值的化学品和生物燃料引起了广泛关注。在已报道的方法中，CO 2与胺的N-甲酰化由于其在构建含N 线性和环状骨架方面的多功能性而具有重要意义。这里，稳定的N-杂环卡宾-羧基加合物（NHC-CO 2）中制备的轻便和可作为用于高效CO可回收两性离子催化剂2还原升级经由任一Ñ -formylation或另外的耦合用温和的条件下环化（25 °C, 1 atm CO 2) 使用氢硅烷作为氢源。超过 30 种不同的烷基和芳香胺可以转化为相应的甲酰胺或苯并咪唑，产率显​​着（74%–98%）。发现引入的取代基对NHC-CO 2的电子效应明显影响两性离子催化剂的热稳定性和亲核性，这与其催化活性直接相关。此外，NHC-CO 2可以通过在特定温度下原位脱羧来提供CO 2，这取决于引入的取代基类型。实验和计算研究表明，NHC-CO 2上的羧基物质不仅是亲核中心，而且还是在氢化硅烷化过程中快速捕获或替代环境
• Substituted N-methylene derivatives of thienamycin sulfoxide and sulfone
  申请人：Merck & Co., Inc.

  公开号：US04232030A1

  公开（公告）日：1980-11-04

  Disclosed are substituted N-methylene derivatives of thienamycin sulfoxide (I, n=1) and sulfone (I, n=2) which may be represented by the following structural formula: ##STR1## wherein X and Y are selected from the group consisting of hydrogen, R, OR, SR, and NR.sup.1 R.sup.2 wherein, inter alia, R is substituted or unsubstituted: alkyl, alkenyl, alkynyl, cycloalkyl, cycloalkylalkyl, aryl, aralkyl, heteroaryl, heteroaralkyl, heterocyclyl, and heterocyclylalkyl; R.sup.1 and R.sup.2 are hydrogen or R. Such compounds and their pharmaceutically acceptable salt, ether, ester and amide derivatives are useful as antibiotics. Also disclosed are processes for the preparation of such compounds; pharmaceutical compositions comprising such compounds; and methods of treatment comprising administering such compounds and compositions when an antibiotic effect is indicated.

  揭示了替代的噻氨酸亚氧化物（I，n=1）和砜（I，n=2）的N-亚甲基衍生物，可以用以下结构式表示：##STR1## 其中X和Y从氢，R，OR，SR和NR.sup.1 R.sup.2组成的群体中选择，其中，R是取代或未取代的：烷基，烯基，炔基，环烷基，环烷基烷基，芳基，芳基烷基，杂芳基，杂芳基烷基，杂环烷基和杂环烷基烷基；R.sup.1和R.sup.2是氢或R。这些化合物及其药学上可接受的盐，醚，酯和酰胺衍生物可用作抗生素。还揭示了制备这些化合物的方法；包含这些化合物的药物组合物；以及在需要抗生素效果时，施用这些化合物和组合物的治疗方法。
• Substituted N-methylene derivatives of thienamycin
  申请人：Merck & Co., Inc.

  公开号：US04194047A1

  公开（公告）日：1980-03-18

  Disclosed are substituted N-methylene derivatives of thienamycin which may be represented by the following structural formula: ##STR1## wherein X and Y are selected from the group consisting of hydrogen, R, OR, SR, and NR.sup.1 R.sup.2 wherein, inter alia, R is substituted or unsubstituted: alkyl, alkenyl, alkynyl, cycloalkyl, cycloalkylalkyl, aryl, aralkyl, heteroaryl, heteroaralkyl, heterocyclyl, and heterocyclylalkyl; R.sup.1 and R.sup.2 are hydrogen or R. Such compounds and their pharmaceutically acceptable salt, ether, ester and amide derivatives are useful as antibiotics. Also disclosed are processes for the preparation of such compounds; pharmaceutical compositions comprising such compounds; and methods of treatment comprising administering such compounds and compositions when an antibiotic effect is indicated.

  披露了替代的噻氨霉素N-亚甲基衍生物，可以用以下结构式表示：##STR1##其中X和Y从氢、R、OR、SR和NR.sup.1 R.sup.2组成的群中选择，其中R是取代或未取代的：烷基、烯基、炔基、环烷基、环烷基烷基、芳基、芳基烷基、杂芳基、杂芳基烷基、杂环烷基和杂环烷基烷基；R.sup.1和R.sup.2是氢或R。这些化合物及其药学上可接受的盐、醚、酯和酰胺衍生物可用作抗生素。还披露了制备这些化合物的方法；包括这些化合物的药物组合物；以及在需要抗生素效果时，施用这些化合物和组合物的治疗方法。
• Medicaments and methods combining a HCV protease inhibitor and an AKR competitor
  申请人：Ghosal Anima

  公开号：US20060276404A1

  公开（公告）日：2006-12-07

  Disclosed are medicaments, pharmaceutical compositions, pharmaceutical kits, and methods based on combinations of a hepatitis C virus (HCV) protease inhibitor and an aldo-keto reductase (AKR) competitor, for concurrent or consecutive administration in treating, preventing, or ameliorating one or more symptoms of HCV, treating disorders associated with HCV, or inhibiting cathepsin activity in a subject.

  揭示了基于丙型肝炎病毒（HCV）蛋白酶抑制剂和醛酮还原酶（AKR）竞争剂的组合的药物、药物组合物、药物套装和方法，用于同时或连续给药以治疗、预防或缓解HCV的一个或多个症状，治疗与HCV相关的疾病，或抑制受试者体内的半胱氨酸蛋白酶活性。