4-氨基甲基苯甲脒 | 369-53-9

• 物质功能分类: 化学试剂 - 有机试剂 - 酰胺
• 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-氨基甲基苯甲脒
• 中文别名: 4-(氨甲基)苯甲酰胺
• 英文名称: 4-(aminomethyl)benzamide
• 英文别名: 4-aminomethylbenzamide；p-aminomethylbenzamide；4-aminomethylbenzenamide；4-(aminocarbonyl)-benzenemethanamine；aminomethylbenzene-4-carboxamide
• CAS: 369-53-9
• 化学式: C₈H₁₀N₂O
• mdl: MFCD06357911
• 分子量: 150.18
• InChiKey: JKIHDSIADUBKPU-UHFFFAOYSA-N

物化性质

• 沸点：
  332.7±25.0 °C(Predicted)
• 密度：
  1.172±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  69.1
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xn
• 危险类别码：
  R22
• 海关编码：
  2924299090
• 储存条件：
  -20°C，避光，惰性气体

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-(Aminomethyl)benzamide
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H302: Harmful if swallowed
H319: Causes serious eye irritation
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing

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Section 3. Composition/information on ingredients.
Ingredient name: 4-(Aminomethyl)benzamide
CAS number: 369-53-9

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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.
Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
Eye contact:
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.
Storage: Store in closed vessels.

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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
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C8H10N2O
Molecular weight: 150.2

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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, 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：

  4-氨基甲基苯甲脒 在 盐酸 、 苯甲醚 、 三乙胺 、 氯磷酸二苯酯 作用下， 以 1,4-二氧六环 、 乙酸乙酯 为溶剂， 反应 10.0h， 生成 (R)-3-((2S,3S)-3-Amino-2-hydroxy-4-phenyl-butyryl)-5,5-dimethyl-thiazolidine-4-carboxylic acid 4-carbamoyl-benzylamide
  参考文献：
  名称：

  一种新型二肽基 HIV 蛋白酶抑制剂，含有别苯诺他汀

  摘要：

  结合别苯去甲司他汀的二肽类似物 [Apns; (2S, 3S) -3amino-2-hydroxy-4-phenylbutyric acid]作为易断键处的过渡态模拟物被设计和合成，希望获得新型 KNI 系列 HIV 蛋白酶抑制剂。前体，N-P2'-3-（2S，3S）-3-（叔丁氧基-羰基）氨基-2-羟基-4-苯基丁酰基）-5，5-二甲基噻唑烷-4-甲酰胺（N-Boc- Apns - Dmt - P2 ') 4a - p 通过合成酮 N - P2 ' - (叔丁氧羰基) - 5, 5 - 二甲基噻唑烷 - 4 - 甲酰胺 (Boc - Dmt - P2 ') 2a - p 的脱保护制备，然后与 (2S, 3S) 3- (叔丁氧羰基) 氨基- 2- 羟基- 4- 苯基丁酸 (N - Boc - Apns - OH) 偶联 3. 脱保护的中间体 4 与 P2 配体的活化羧基偶联以提供目标二肽。在这项工作中，我们在

  DOI：

  10.1002/ardp.200400882
• 作为产物：
  描述：

  4-氨甲基苯甲酸 在 1-羟基苯并三唑 、 N,N'-二异丙基碳二亚胺 、 三氟乙酸 作用下， 以 N,N-二甲基甲酰胺 、 二氯甲烷 为溶剂， 反应 2.5h， 生成 4-氨基甲基苯甲脒
  参考文献：
  名称：

  通过苯胺脱氨制得氘代芳烃的有效途径

  摘要：

  据报道，氘能一步取代环取代苯胺中的NH 2基团。包括固相合成和溶液相合成的方法都可以用于多种基质上。该方法在水和二氯甲烷或氯仿的混合物中使用重氮化作用，而二氯甲烷或氯仿是氢的来源。该方案可以用作使用氘化氯仿将氘快速轻松地掺入芳族体系的一般方法。

  DOI：

  10.1021/acs.orglett.6b01438
• 作为试剂：
  描述：

  4-nitrophenyl [(2S)-4-(3,4-dichlorobenzyl)morpholin-2-yl]methylcarbamate 、 4-氨基甲基苯甲脒 在 4-氨基甲基苯甲脒 作用下， 生成 GW766994
  参考文献：
  名称：

  Compounds useful in the treatment of inflammatory diseases

  摘要：

  根据本发明提供了一种新的化合物，其化学式为(I)，其中R1、R2、R3、R4、R5、R6、X、a、b和Z的定义如规范中所述，制备它们的方法，包含它们的制剂以及它们在治疗炎症性疾病方面的应用。

  公开号：

  US07157457B2

文献信息

• [EN] NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF<br/>[FR] NOUVEAUX DÉRIVÉS DE CYCLOSPORINE ET LEURS UTILISATIONS
  申请人：S&T GLOBAL INC

  公开号：WO2017200984A1

  公开（公告）日：2017-11-23

  A compound of the Formula (I) is disclosed: (I) or pharmaceutically acceptable salt thereof, wherein the symbols are as defined in the specification. Also described are a pharmaceutical composition comprising the same and a method for treating or preventing viral infections, inflammation, dry eye, central nervous disorders, cardiovascular diseases, cancer, obesity, diabetes, muscular dystrophy, lung, and liver, and kindey diseases, and hair loss using the same.

  公开了化合物的公式（I）：（I）或其药学上可接受的盐，其中符号如规范中定义。还描述了包含相同化合物的药物组合物，以及使用该药物组合物治疗或预防病毒感染、炎症、干眼症、中枢神经障碍、心血管疾病、癌症、肥胖症、糖尿病、肌肉萎缩症、肺部和肝脏疾病、肾脏疾病和脱发的方法。
• Cobalt-based nanoparticles prepared from MOF–carbon templates as efficient hydrogenation catalysts
  作者：Kathiravan Murugesan、Thirusangumurugan Senthamarai、Manzar Sohail、Ahmad S. Alshammari、Marga-Martina Pohl、Matthias Beller、Rajenahally V. Jagadeesh

  DOI：10.1039/c8sc02807a

  日期：——

  resulting nanoparticles create stable and reusable catalysts for selective hydrogenation of functionalized and structurally diverse aromatic, heterocyclic and aliphatic nitriles, and as well as nitro compounds to primary amines (>65 examples). The synthetic and practical utility of this novel non-noble metal-based hydrogenation protocol is demonstrated by upscaling several reactions to multigram-scale

  用于工业相关氢化反应的高效和选择性纳米结构催化剂的开发继续是化学研究的实际目标。尤其是腈和硝基芳烃的氢化对于伯胺的生产非常重要，伯胺构成了高级化学品，生命科学分子和材料的重要原料和关键中间体。在这里，我们报道了石墨烯壳包封的Co 3 O 4的制备-和钴-纳米颗粒通过碳上对苯二甲酸钴对苯二甲酸MOF的模板合成和随后的热解而负载在碳上。所得的纳米颗粒产生稳定且可重复使用的催化剂，用于官能化和结构多样的芳族，杂环和脂肪族腈以及硝基化合物选择性氢化为伯胺（> 65实例）。这种新型的基于非贵金属的氢化方案的合成和实用性通过将数种反应的规模扩大到数克规模并回收催化剂得到了证明。
• 靶向神经肽受体PAC1-R的小分子别构调节 化合物SPAM及其制备方法和用途
  申请人：暨南大学

  公开号：CN109293584B

  公开（公告）日：2021-11-26

  本发明公开了靶向神经肽受体PAC1‑R的小分子别构调节化合物SPAM及其制备方法和用途。其结构式如式（Ⅰ）所示，其中R1=OH或NH；R2=无或H20或HCl；本发明所涉及的小分子化合物能够与神经肽受体PAC1‑R的胞外域结合，不仅单独即可别构激活PAC1‑R受体，而且可增强天然激动剂对PAC1‑R正位激活，初步药理学研究（体外细胞与动物模型）显示小分子化合物具有良好的保护神经细胞，抵抗阿尔兹海默症与帕金森症发生发展、保护视网膜的活性，可进一步研制开发为新型的预防与治疗神经系统退行性疾病与视网膜损伤的小分子药物。
• [EN] SPLICEOSTATIN ANALOGS<br/>[FR] ANALOGUES DE SPLICÉOSTATINE
  申请人：PFIZER

  公开号：WO2014068443A1

  公开（公告）日：2014-05-08

  The present invention is directed to novel cytotoxic spliceostatin analogs (I) and derivatives, to antibody drug conjugates thereof, and to methods for using the same to treat medical conditions including cancer.

  本发明涉及新型细胞毒性剪接抑制素类似物（I）及其衍生物，涉及其抗体药物结合物，以及使用它们治疗包括癌症在内的医疗状况的方法。
• [EN] COMBINATION OF CB2 MODULATORS AND PDE4 INHIBITORS FOR USE IN MEDICINE<br/>[FR] COMBINAISON DE MODULATEURS DU CB2 ET D'INHIBITEURS DE LA PDE4 UTILISEE EN MEDECINE
  申请人：GLAXO GROUP LTD

  公开号：WO2005074939A1

  公开（公告）日：2005-08-18

  Combination of one or more CB2 modulators such as a compound of formula (I), (II) and (III); and one more PDE4 inhibitors are useful of treating conditions which are mediated by the activity of CB2 receptors or conditions which are mediated by PDE4, such as an immune disorder, an inflamatory disorder, pain, rheumatoid.

  一种或多种CB2调节剂的组合，例如式(I)、(II)和(III)的化合物；以及一种或多种PDE4抑制剂对于治疗由CB2受体活性介导的疾病或由PDE4介导的疾病，如免疫紊乱、炎症性疾病、疼痛、类风湿等症状是有用的。