4-溴-n-环丙基苯甲酰胺 | 306745-64-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-溴-n-环丙基苯甲酰胺
• 中文别名: 4-溴-N-环丙基苯酰胺
• 英文名称: 4-bromo-N-cyclopropylbenzamide
• 英文别名: 4-bromo-N-cyclopropyl-benzamide
• CAS: 306745-64-2
• 化学式: C₁₀H₁₀BrNO
• mdl: MFCD00740167
• 分子量: 240.099
• InChiKey: PTAOXRHPDPMIBL-UHFFFAOYSA-N

物化性质

• 沸点：
  373.4±25.0 °C(Predicted)
• 密度：
  1.54±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 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
• 危险性防范说明：
  P261,P280,P301+P312,P302+P352,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  室温

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: N-Cyclopropyl 4-bromobenzamide
Synonyms: 4-Bromo-N-cyclopropylbenzamide

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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-Cyclopropyl 4-bromobenzamide
CAS number: 306745-64-2

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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: C10H10BrNO
Molecular weight: 240.1

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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, hydrogen bromide.

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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：

  4-溴-n-环丙基苯甲酰胺 在 nickel(II) iodide 、 1,4-双(二环己基膦)丁烷 、 sodium carbonate 、 cesium iodide 作用下， 以 四氢呋喃 为溶剂， 反应 72.25h， 以70%的产率得到N-环丙基-苯甲酰胺
  参考文献：
  名称：

  镍催化的芳基溴化物的光脱卤

  摘要：

  在这里，我们描述了在利用四氢呋喃作为氢源的可见光照射下镍催化的芳基溴化物的光脱卤。该方案消除了对外源胺还原剂或光催化剂的需求，其特点是简单易行且适用范围广，包括具有挑战性的底物组合

  DOI：

  10.1055/a-1457-2399
• 作为产物：
  描述：

  环丙胺 在 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.25h， 生成 4-溴-n-环丙基苯甲酰胺
  参考文献：
  名称：

  WO2007/70556

  摘要：

  公开号：

文献信息

• N-(5-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS
  申请人：Schmitz Ulrich Franz

  公开号：US20070265265A1

  公开（公告）日：2007-11-15

  Disclosed are compounds having Formula (I) and the compositions and methods thereof for treating or preventing a viral infection mediated at least in part by a virus in the Flaviviridae family of viruses, wherein A, R 2 , m, R, V, W, T, Z, R 1 , Y, and p are disclosed herein.

  揭示了具有Formula (I)的化合物，以及用于治疗或预防由Flaviviridae病毒家族中的病毒至少部分介导的病毒感染的组合物和方法，其中A、R2、m、R、V、W、T、Z、R1、Y和p在此处被揭示。
• Diamine Synthesis via the Nitrogen-Directed Azidation of σ- and π-C–C Bonds
  作者：Ming-Ming Wang、Tin V. T. Nguyen、Jerome Waser

  DOI：10.1021/jacs.1c06700

  日期：2021.8.11

  thiophene-2-carboxylate (CuTc, 2 mol %) as catalyst promoted the diazidation of both π and σ C–C bonds within 10 min in the presence of readily available oxidants and trimethylsilyl azide. Selective substitution of the formed α-amino azide by carbon nucleophiles (electron-rich aromatic, malonate, organosilicon, organoboron, organozinc, and organomagnesium compounds) was then achieved in a one-pot fashion

  二胺是合成农用化学品、药物和有机材料的基本组成部分，但它们的合成仍然具有挑战性，因为需要区分两种氮并且需要不同的取代模式（1,2、1,3 或 1,4） . 我们在此报告了一种新策略，该策略基于烯烃、环丙烷和环丁烷的氮定向重氮化，将 1,2、1,3 和 1,4 酰氨基叠氮化物作为正交保护的二胺。市售的噻吩-2-羧酸铜（CuTc，2 mol%）作为催化剂，在容易获得的氧化剂和叠氮化三甲基甲硅烷基的存在下，在 10 分钟内促进了 π 和 σ C-C 键的重氮化。用碳亲核试剂（富电子芳香族、丙二酸酯、有机硅、有机硼、有机锌、
• [EN] HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES HÉTÉROCYCLIQUES DU RÉCEPTEUR DU CGRP
  申请人：MERCK SHARP & DOHME

  公开号：WO2015161014A1

  公开（公告）日：2015-10-22

  The present invention is directed to heterocyclic compounds which are antagonists of CGRP receptors and useful in the treatment or prevention of diseases in which CGRP is involved, such as migraine. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which CGRP is involved.

  本发明涉及杂环化合物，其是CGRP受体拮抗剂，可用于治疗或预防涉及CGRP的疾病，如偏头痛。该发明还涉及包含这些化合物的药物组合物，以及在预防或治疗涉及CGRP的这类疾病中使用这些化合物和组合物。
• [EN] BENZAMIDE CGRP RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES BENZAMIDES DES RÉCEPTEUR CGRP
  申请人：MERCK SHARP & DOHME

  公开号：WO2015161011A1

  公开（公告）日：2015-10-22

  The present invention is directed to benzamide compounds which are antagonists of CGRP receptors and useful in the treatment or prevention of diseases in which CGRP is involved, such as migraine. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which CGRP is involved.

  本发明涉及苯甲酰胺化合物，其为CGRP受体拮抗剂，用于治疗或预防涉及CGRP的疾病，如偏头痛。该发明还涉及包含这些化合物的药物组合物，以及这些化合物和组合物在预防或治疗涉及CGRP的疾病中的用途。
• Selective C(sp³)-C(sp³) Cleavage/Alkynylation of Cycloalkylamides Enables Aminoalkyne Synthesis with Hypervalent Iodine Reagents
  作者：Zhengyi Liu、Shuang Wu、Yiyun Chen

  DOI：10.1021/acscatal.1c02981

  日期：2021.8.20

  cleavage/alkynylation of cycloalkylamides for the aminoalkyne synthesis under mild photoredox catalysis conditions. γ- and δ-Aminoalkynes with versatile alkyne and amine substituents are efficiently constructed from cyclopropylamides and cyclobutylamides via amidyl radicals enabled by hypervalent iodine(III) reagents. The catalytic amount of cyclic iodine(III) BI’-OAc facilitated the single-electron oxidation and ring-opening

  在这里，我们报告了选择性 C(sp 3 )-C(sp 3）在温和的光氧化还原催化条件下，用于氨基炔合成的环烷基酰胺的裂解/炔基化。具有多功能炔烃和胺取代基的 γ- 和 δ-氨基炔烃是由环丙基酰胺和环丁基酰胺通过高价碘 (III) 试剂启用的酰胺基有效构建的。催化量的环碘 (III) BI'-OAc 促进了环烷基酰胺的单电子氧化和开环炔基化，这通过一系列机械探测实验进行了研究。氧、硫或碳亲核试剂捕获的各种 α-氨基取代可以以克规模进行，并且氨基炔产物很容易衍生为吲哚里西啶，呈现出多功能的生物活性稠合氮杂环。