C-(4-甲氧基-苯基)-c-苯基甲胺 | 2538-34-3

• 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: C-(4-甲氧基-苯基)-c-苯基甲胺
• 英文名称: 4-methoxybenzhydrylamine
• 英文别名: (4-methoxyphenyl)(phenyl)methanamine；C-(4-Methoxy-phenyl)-C-phenyl-methylamine；(4-methoxyphenyl)-phenylmethanamine
• CAS: 2538-34-3
• 化学式: C₁₄H₁₅NO
• mdl: MFCD00053639
• 分子量: 213.279
• InChiKey: MXDBCXKVTJDKNP-UHFFFAOYSA-N

物化性质

• 密度：
  1.181

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  35.2
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 包装等级：
  III
• 危险类别：
  8
• 危险性防范说明：
  P261,P264,P270,P271,P280,P302+P352,P304+P340,P305+P351+P338,P310,P330,P332+P313,P362,P403+P233,P405,P501
• 危险品运输编号：
  2735
• 危险性描述：
  H302,H315,H318,H335
• 储存条件：
  应存于室温环境，避免光照，并在惰性气体氛围中保存。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: C-(4-Methoxy-phenyl)-c-phenyl-methylamine
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: C-(4-Methoxy-phenyl)-c-phenyl-methylamine
CAS number: 2538-34-3

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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: 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：

  C-(4-甲氧基-苯基)-c-苯基甲胺 在 2,4,6-triphenylpyrylium tetrafluoroborate 作用下， 以 二氯甲烷 为溶剂， 反应 8.17h， 生成 4-甲氧基二苯甲酮
  参考文献：
  名称：

  氢键通过光氧化还原催化胺的需氧氧化†

  摘要：

  据报道，在有机光催化剂的催化下，H键相互作用可指导胺的α-C–H氧化为酰胺和氨基酮。带有脲基团的吡咯烷，二芳基胺和苄基胺的好氧氧化具有高收率和广泛的底物范围，证明了该方法的高效率。

  DOI：

  10.1039/c8cc06603e
• 作为产物：
  描述：

  4-甲氧基二苯甲醇 在 lithium hydroxide 、 硫酸 、 水 作用下， 以 乙腈 为溶剂， 反应 20.0h， 生成 C-(4-甲氧基-苯基)-c-苯基甲胺
  参考文献：
  名称：

  A Practical Synthesis of para Di- and Mono-Substituted Benzhydrylamines from Benzhydrol Precursors

  摘要：

  一系列对位取代的苯乙胺 6 通过在酸性条件下用苯基氨基甲酸酯 2 替代相应的苯乙醇前体 1 获得，随后对氨基甲酸酯中间体 3 进行碱性水解。一个非对称中间体 3i 已通过制备性手性色谱法分离。随后去保护氨基甲酸酯官能团，得到光学活性的 (+)-和 (-)-4-氯苯乙胺。

  DOI：

  10.1055/s-2000-6391

文献信息

• [EN] COMPOUNDS AND METHODS<br/>[FR] COMPOSÉS ET MÉTHODES
  申请人：TEMPERO PHARMACEUTICALS INC

  公开号：WO2013019682A1

  公开（公告）日：2013-02-07

  The present invention relates to novel retinoid-related orphan receptor gamma (RORγ) modulators and their use in the treatment of diseases mediated by RORy.

  本发明涉及新型视黄醛酸相关孤儿受体γ（RORγ）调节剂及其在治疗由RORγ介导的疾病中的应用。
• Sequential Selective C−H and C(sp ³ )− ⁺ P Bond Functionalizations: An Entry to Bioactive Arylated Scaffolds
  作者：K. Naresh Babu、Fedaa Massarwe、Israa Shioukhi、Ahmad Masarwa

  DOI：10.1002/anie.202111164

  日期：2021.12.6

  of the resulting phosphonium salt building blocks was demonstrated by the chemoselective post-functionalization of benzylic C(sp3 )-+ PPh3 groups to achieve aminations, thiolations, and arylations. In this way, benzhydrylamines, benzhydrylthioethers, and triarylmethanes, structural motifs that are present in many pharmaceuticals and agrochemicals, are readily accessed. These include the synthesis of

  含有 C(sp3 )-+ P 键的有机鏻盐是有机合成中用于构建 CC 双键的最常用试剂之一。然而，它们用作 C 选择性亲电基团的情况很少见。在这里，我们探索了一种有效且通用的无过渡金属方法，用于顺序化学和区域选择性 CH 和 C(sp3 )-+ P 键功能化。在本研究中，CH 烷基化导致二苯甲基三芳基鏻盐的合成是通过简单和市售起始材料的一锅四组分交叉偶联反应实现的。通过对苄基 C(sp3 )-+ PPh3 基团进行化学选择性后官能化以实现胺化、硫醇化和芳基化，证明了所得鏻盐结构单元的实用性。这样，二苯甲基胺、二苯甲基硫醚、和三芳基甲烷是许多药物和农用化学品中存在的结构基序，很容易获得。其中包括仅用两到三个步骤从简单材料合成两种抗癌剂。此外，还开发了使用二苯甲基鏻盐对生物活性药物进行后期功能化的协议。这种新方法应该为学术和药物研究中的应用提供新的转变。
• Steroid derivatives for the treatment of prostatic hypertrophy their
  申请人：Sankyo Company, Limited

  公开号：US05536714A1

  公开（公告）日：1996-07-16

  The invention includes compounds of formula (I): ##STR1## in which R.sup.1 is hydrogen, alkyl, aryl-substituted alkyl or aromatic heterocyclic-substituted alkyl; R.sup.2 is aryl-substituted alkyl, aromatic heterocyclic-substituted alkyl or diarylamino; and R.sup.3 is carboxy or a group of formula --CONHSO.sub.2 R.sup.4 wherein R.sup.4 is alkyl; and pharmaceutically acceptable salts and esters of the compounds. The compounds have valuable 5.alpha.-reductase inhibitory activity and can thus be used for the treatment and prophylaxis of, inter alia, prostatic hypertrophy as well as other disorders arising from excess levels of 5.alpha.-dihydro-testosterone.

  该发明包括式(I)的化合物：##STR1##其中R.sup.1是氢，烷基，芳基取代的烷基或芳香杂环基取代的烷基；R.sup.2是芳基取代的烷基，芳香杂环基取代的烷基或二芳基胺基；R.sup.3是羧基或具有式--CONHSO.sub.2 R.sup.4的基团，其中R.sup.4是烷基；以及该化合物的药用可接受盐和酯。这些化合物具有有价值的5α-还原酶抑制活性，因此可用于治疗和预防前列腺肥大等疾病，以及由于5α-二氢睾酮水平过高而引起的其他疾病。
• Direct Conversion of Aldehydes and Ketones into Azides by Sequential Nucleophilic Addition and Substitution
  作者：Pratik P. Goswami、Victoria P. Suding、Angela S. Carlson、Joseph J. Topczewski

  DOI：10.1002/ejoc.201600856

  日期：2016.10

  conversion of aldehydes and ketones into alkyl azides by the addition of common organometallic reagents and tandem conversion of the resulting alkoxides without isolation of the intermediate alcohols. A wide range of aldehydes and organometallic reagents (R–Li or R–MgX) are suitable participants in this process. Additional reaction telescoping beyond azide formation is demonstrated.

  该报告描述了通过添加常见的有机金属试剂和串联转化生成的醇盐而不分离中间体醇，将醛和酮直接转化为烷基叠氮化物。范围广泛的醛和有机金属试剂（R-Li 或 R-MgX）是该过程的合适参与者。证明了叠氮化物形成之外的其他反应伸缩。
• Schiff bases. Part I. Thermal decarboxylation of α-amino-acids in the presence of ketones
  作者：A. F. Al-Sayyab、Alexander Lawson

  DOI：10.1039/j39680000406

  日期：——

  A number of Schiff bases derived from α-amino-acids and hydroxy-substituted aromatic ketones have been prepared. Their infrared spectra suggest that their relative stability to hydrolysis as compared with those from ketones with no hydroxy-groups is due to hydrogen bonding. The thermal decomposition of α-amino-acids in the presence of ketones, followed by hydrolysis, produces the amines corresponding

  已经制备了许多衍生自α-氨基酸和羟基取代的芳族酮的席夫碱。它们的红外光谱表明，与没有羟基的酮相比，它们对水解的相对稳定性是由于氢键的缘故。α-氨基酸在酮的存在下热分解，然后水解，生成的氨基酸或酮（转氨基）或两者对应的胺，取决于所用氨基酸和酮的性质以及水解方法。对于具有季碳原子的氨基酸，转氨作用是主要反应。描述了从相应的氨基酸以高收率制备酪胺，色胺和组胺的方法。