1-[2-(苄氧基)苯基]甲胺 | 108289-24-3

• 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: 1-[2-(苄氧基)苯基]甲胺
• 中文别名: 2-苄氧基苄胺；2,4-二氢-5-(1,3-苯并二噁唑-5-基)-4-甲基-3H-1,2,4-三唑-3-酮；(2-(苄氧基)苯基)甲胺
• 英文名称: (2-(benzyloxy)phenyl)methanamine
• 英文别名: 2-benzyloxybenzylamine；(2-phenylmethoxyphenyl)methanamine
• CAS: 108289-24-3
• 化学式: C₁₄H₁₅NO
• mdl: MFCD07786678
• 分子量: 213.279
• InChiKey: KOGOOCNDBVXUPW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  35.2
• 氢给体数：
  1
• 氢受体数：
  2

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-Benzyloxybenzylamine
Synonyms: [2-(Benzyloxy)phenyl]methanamine

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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: 2-Benzyloxybenzylamine
CAS number: 108289-24-3

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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, 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: C14H15NO
Molecular weight: 213.3

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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.

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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：

  1-[2-(苄氧基)苯基]甲胺 在 palladium 10% on activated carbon 、 甲酸铵 、 caesium carbonate 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 28.0h， 生成 benzo[f]pyrazino[2,3-b][1,4]oxazepin-11(10H)-yl(pyrrolidin-1-yl)-methanone
  参考文献：
  名称：

  通过两个串联的S N Ar事件方便地组装特权（杂）芳烃融合的苯并[1.4]氮杂ze庚烷。第1部分–关于间歇性微笑重新安排的重要性

  摘要：

  已设计了通过S N Ar-Smiles重排-S N Ar级联反应合成的[1.4]氮杂氮杂的新双亲核前体。将它们与芳香族双亲电子试剂在碱促进的缩合反应中使用，可以区分高反应性和低反应性的底物（即分别可以通过和不能通过Smiles重排屏障的底物）。通过在双亲电子前体中引入吸电子取代基，可以恢复对所需环化过程的反应性。这有力地说明了笑容重排对于成功形成整个戒指的重要性。

  DOI：

  10.1002/ejoc.201900263
• 作为产物：
  描述：

  2-苄氧基苯甲醛 在 盐酸羟胺 、 溶剂黄146 、 sodium hydroxide 、 锌 作用下， 以 甲醇 、 水 为溶剂， 反应 2.0h， 生成 1-[2-(苄氧基)苯基]甲胺
  参考文献：
  名称：

  设计和合成靶向热休克蛋白90的新lamellarin a衍生物。

  摘要：

  在这项研究中，我们设计和合成了新的新层蛋白A衍生物家族，该衍生物对热休克蛋白90（Hsp90）（与细胞增殖相关的激酶）具有高抑制活性。3,4-双（邻苯二酚）吡咯骨架和在吡咯N位置进行甲氧基修饰的苄基对这些化合物的Hsp90抑制活性和细胞毒性至关重要。蛋白质印迹分析表明，这些化合物可诱导所检测的Hsp90客户蛋白质急剧消耗，并加速癌细胞凋亡。对接模拟表明9p的结合模式与Hsp90的强效抑制剂VER49009的结合模式相似。进一步的分子动力学模拟表明疏水相互作用以及氢键有助于9p对Hsp90的高亲和力。

  DOI：

  10.1016/j.ejmech.2017.04.019

文献信息

• [EN] INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF<br/>[FR] INHIBITEURS DE L'INTÉGRINE ALPHA 2 BÊTA 1 ET LEURS PROCÉDÉS D'UTILISATION
  申请人：UNIV CALIFORNIA

  公开号：WO2021222789A1

  公开（公告）日：2021-11-04

  Disclosed herein, inter alia, are inhibitors of alpha 2 beta 1 integrin and methods of using the same.

  本公开的内容包括阿尔法2贝塔1整合素的抑制剂以及使用这些抑制剂的方法。
• [EN] AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE<br/>[FR] ANALOGUES D'AMINO-TÉTRAZOLES ET MÉTHODES D'UTILISATION
  申请人：ABBOTT LAB

  公开号：WO2005111003A1

  公开（公告）日：2005-11-24

  A compound having Formula (I) or Formula (II) is disclosed as an P2X7 antagonist, wherein A, B, C, Y, Y, Z, m, v, R1, R2, R3, R4, and R5, are as defined in the description. Methods and compositions for treating disease or condition modulated by P2X7 are also disclosed.

  公开了具有化学式（I）或化学式（II）的化合物作为P2X7拮抗剂，其中A、B、C、Y、Y、Z、m、v、R1、R2、R3、R4和R5如描述中所定义。还公开了用于治疗受P2X7调节的疾病或症状的方法和组合物。
• Purinenucleoside derivative modified in 8-position and medical use thereof
  申请人：Tatani Kazuya

  公开号：US20070179115A1

  公开（公告）日：2007-08-02

  The present invention provides an 8-modified purinenucleoside derivative which is useful for diseases associated with an abnormality of plasma uric acid level. An 8-modified purinenucleoside derivative represented by the following formula (I), a prodrug thereof or a pharmaceutically acceptable salt thereof, or a hydrate or solvate thereof, is useful for the prevention or treatment of gout, hyperuricemia, urinary lithiasis, hyperuricemic nephropathy or the like. In the formula, n is 1 or 2; R A is a hydrogen atom or a hydroxyl group; R 1 is a hydrogen atom, a hydroxyl group, a thiol group, an amino group or a chlorine atom; ring J represents an optionally substituted 2-naphthyl group, or a group represented by the following general formula (II) wherein Y represents a single bond or a connecting group; ring Z represents an optionally substituted aryl group or heteroaryl group or the like; and R 2 to R 4 , P 1 and Q represents a halogen atom, a cyano group or the like.

  本发明提供了一种用于与血浆尿酸水平异常相关疾病的8-修饰嘌呤核苷衍生物。以下式（I）所代表的一种8-修饰嘌呤核苷衍生物、其前药或药用盐、或其水合物或溶剂化合物，对于痛风、高尿酸血症、尿路结石、高尿酸性肾病等的预防或治疗具有用处。在该式中，n为1或2；RA是氢原子或羟基；R1是氢原子、羟基、硫醇基、氨基或氯原子；环J代表可选地取代的2-萘基，或由以下一般式（II）所代表的基团，其中Y代表单键或连接基团；环Z代表可选地取代的芳基或杂环芳基等；而R2至R4、P1和Q代表卤素原子、氰基或类似物。
• Highly Active Multidentate Catalysts for Efficient Alkyne Metathesis
  申请人：THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE

  公开号：US20130261295A1

  公开（公告）日：2013-10-03

  The invention relates to highly active and selective catalysts for alkyne metathesis. In one aspect, the invention includes a multidentate organic ligand wherein one substrate-binding site of the metal center is blocked. In another aspect, the invention includes N-quaternized or silane-based multidentate organic ligands, capable of binding to metals. In yet another aspect, the invention includes N-quaternized or silane-based multidentate catalysts. The catalysts of the invention show high robustness, strong resistance to small alkyne polymerization and significantly enhanced catalytic activity compared to their corresponding non-quaternized or non-silane-based multidentate catalyst analogues.

  该发明涉及用于炔烃交换反应的高活性和选择性催化剂。在一个方面，该发明包括一种多齿有机配体，其中金属中心的一个底物结合位点被阻塞。在另一个方面，该发明包括N-季铵化或硅基多齿有机配体，能够与金属结合。在另一个方面，该发明包括N-季铵化或硅基多齿催化剂。该发明的催化剂表现出高稳定性，对小炔烃聚合具有很强的抵抗力，并且与其对应的非季铵化或非硅基多齿催化剂类似物相比，具有显着增强的催化活性。
• Derivatives of 3-aminopropane-1,2-diol
  申请人：Ciba-Geigy Corporation

  公开号：US04727067A1

  公开（公告）日：1988-02-23

  Derivatives of 3-aminopropane-1,2-diol of the formula ##STR1## in which Ar represents optionally substituted aryl, n represents the number 0 or 1, and alk represents alkylene having 2 to 5 carbon atoms, the nitrogen atom and the oxygen atom, or, if n is zero, the phenyl radical, being separated from one another by at least two carbon atoms, and R.sub.1 and R.sub.2, independently of one another, each represents hydrogen or lower alkyl, or together they represent lower alkylene, oxa-lower alkylene, thia-lower alkylene, aza-lower alkylene or N-lower alkyl-aza-lower alkylene, and salts of such compounds, processes for their manufacture, medicaments containing the new compounds and their use for the treatment of Angina pectoris and cardiac arrhythmia, and as blood pressure-reducing agents, as well as for the treatment of reactive or endogenic states of depression.

  公式为## STR1 ##的3-氨基丙烷-1,2-二醇的衍生物，其中Ar代表可选取代的芳基，n代表数字0或1，而alk表示具有2到5个碳原子的烷基，氮原子和氧原子，或者如果n为零，则苯基与彼此至少相隔两个碳原子，而R.sub.1和R.sub.2分别独立地代表氢或较低的烷基，或者它们在一起表示较低的烷基，氧杂-较低的烷基，硫杂-较低的烷基，氮杂-较低的烷基或N-较低的烷基-氮杂-较低的烷基，并且这些化合物的盐，以及制造这些新化合物的过程，包含这些新化合物的药物以及它们用于治疗心绞痛和心律失常，以及作为降低血压的药物，并且用于治疗反应性或内源性抑郁状态的用途。