4-[2-(甲基氨基)乙基]苯酚盐酸盐 | 13062-76-5

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物
• 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-[2-(甲基氨基)乙基]苯酚盐酸盐
• 中文别名: N-甲基酪胺盐酸盐；N-甲基色胺盐酸盐
• 英文名称: N-Methyltyramine hydrochloride
• 英文别名: 4-(2-(methylamino)ethyl)phenol, hydrochloride；hydron;4-[2-(methylamino)ethyl]phenol;chloride
• CAS: 13062-76-5
• 化学式: C₉H₁₃NO*ClH
• 分子量: 187.669
• InChiKey: JNZSSRZVHCKFLK-UHFFFAOYSA-N

物化性质

• 熔点：
  134-136°C
• 溶解度：
  DMSO（少许）、甲醇（少许）、水（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  1.58
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  32.3
• 氢给体数：
  3
• 氢受体数：
  2

安全信息

• 海关编码：
  2922299090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: N-Methyltyramine HCl
Synonyms: 4-(2-(Methylamino)ethyl)phenol hydrochloride

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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-Methyltyramine HCl
CAS number: 13062-76-5

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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.
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: C9H13NO.ClH
Molecular weight: 187.7

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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 chloride.

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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

制备方法与用途

N-甲基酪胺盐酸盐是啤酒中的一种成分，它通过激活胆碱能胃胰反射，刺激胰腺的外分泌功能。

反应信息

• 作为反应物：
  描述：

  4-[2-(甲基氨基)乙基]苯酚盐酸盐 在 lithium chloro-isopropyl-magnesium chloride 、 sodium hydride 、 碳酸氢钠 、 N,N-二异丙基乙胺 、 四丁基二氟三苯硅酸铵 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 、 乙腈 、 mineral oil 为溶剂， 反应 22.5h， 生成 N-(4-(2-(3,3-dimethyl-1λ³-benzo[d][1,2]iodaoxol-1(3H)-yl)-1,1,2,2-tetrafluoroethoxy)phenethyl)-N-methyl-1-(pyren-1-yl)-2,5,8,11,14-pentaoxahexadecan-16-amide
  参考文献：
  名称：

  使用模块化亲电子四氟乙基化试剂的不可逆半胱氨酸选择性蛋白质标记

  摘要：

  基于高价碘的氟烷基化试剂被广泛用于将氟烷基部分转移到各种亲核试剂上。然而，到目前为止，转移的基团仅限于简单的结构基序。我们在本文中报道了一种具有仲胺的试剂，该仲胺可以一步转化为酰胺，磺酰胺和叔胺衍生物。所得试剂带有多个官能团，其中许多官能团与原始合成途径不兼容。利用这种结构的多功能性和已知的对硫醇的高反应性，新一代试剂与人工逆向醛缩酶在生物缀合中使用，后者含有暴露的半胱氨酸和反应性赖氨酸。鉴于基于马来酰亚胺和碘乙酰胺的商业试剂标记了两个位点，碘仅修饰半胱氨酸残基。因此，研究表明，模块化的氟代烷基化试剂可用作半胱氨酸选择性生物结合的工具。

  DOI：

  10.1002/chem.201700607
• 作为产物：
  描述：

  2-(4-羟基苯基)-n-甲基乙酰胺 在 iron(III) chloride 、 钾硼氢 、 盐酸 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 以167 g的产率得到4-[2-(甲基氨基)乙基]苯酚盐酸盐
  参考文献：
  名称：

  一种N-甲基酪胺盐酸盐的合成方法

  摘要：

  本发明涉及一种N‑甲基酪胺盐酸盐的合成方法，属于有机合成技术领域。其包括如下步骤：将对羟基苯乙酸溶于溶剂一，并加入二氯亚砜，回流搅拌至反应完全，冷却后将反应液滴入到甲胺水溶液中，滴毕保温搅拌后过滤得中间体；将中间体溶于溶剂二，室温下先加入还原剂，再分批加入路易斯酸，加热回流搅拌过夜，反应完毕后将反应液导入酸溶液中，然后调节pH至中性，搅拌后过滤、分液，溶剂二层通入氯化氢气体至饱和且溶液pH至1，搅拌后抽滤，固体淋洗、烘干得N‑甲基酪胺盐酸盐。本发明反应条件温和，转化率高，原料价廉易得，所用的试剂均为价廉的常规试剂，合成成本低，且后处理简单易行，不会产生大量三废，产品收率、纯度高，质量好。

  公开号：

  CN106977411B

文献信息

• [EN] TRIAZOLOTRIAZINE DERIVATIVES AS A2A RECEPTOR ANTAGONISTS<br/>[FR] DÉRIVÉS DE TRIAZOLOTRIAZINE EN TANT QU'ANTAGONISTES DU RÉCEPTEUR A2A
  申请人：ZHEJIANG VIMGREEN PHARMACEUTICALS LTD

  公开号：WO2020002969A1

  公开（公告）日：2020-01-02

  The present invention provides triazolotriazine derivatives of formula (1) as A2A receptor antagonists. Compounds of formula (1) and pharmaceutical compositions including the compounds can be used for the treatment of disorders related to A2A receptor hyperfunctioning, such as certain types cancers. Compounds of formula (1) and methods of preparing the compounds are disclosed in the invention.

  本发明提供了公式（1）的三唑三嗪衍生物作为A2A受体拮抗剂。公式（1）的化合物和包括这些化合物的药物组合物可用于治疗与A2A受体过度功能有关的疾病，如某些类型的癌症。该发明揭示了公式（1）的化合物和制备这些化合物的方法。
• Viral polymerase inhibitors
  申请人：——

  公开号：US20020065418A1

  公开（公告）日：2002-05-30

  A compound of the formula I: 1 wherein: X is CH or N; Y is O or S; Z is OH, NH 2 , NMeR 3 , NHR 3 ; OR 3 or 5- or 6-membered heterocycle, having 1 to 4 heteroatoms selected from 0, N and S, said heterocycle being optionally substituted with from 1 to 4 substituents; A is N, COR 7 or CR 5 , wherein R 5 is H, halogen, or (C 1-6 ) alkyl and R 7 is H or (C 1-6 alkyl), with the proviso that X and A are not both N; R 6 is H, halogen, (C 1-6 alkyl) or OR 7 , wherein R 7 is H or (C 1-6 alkyl); R 1 is selected from the group consisting of 5- or 6-membered heterocycle having 1 to 4 heteroatoms selected from O, N, and S, phenyl, phenyl(C 1-3 )alkyl, (C 2-6 )alkenyl, phenyl(C 2-6 )alkenyl, (C 3-6 )cycloalkyl, (C 1-6 )alkyl, CF 3 , 9- or 10-membered heterobicycle having 1 to 4 heteroatoms selected from O, N and S, wherein said heterocycle, phenyl, phenyl(C 2-6 )alkenyl and phenyl(C 1-3 )alkyl), alkenyl, cycloalkyl, (C 1-6 )alkyl, and heterobicycle are all optionally substituted with from 1 to 4 substituents R 2 is selected from (C 1-6 )alkyl, (C 3-7 )cycloalkyl, (C 3-7 )cycloalkyl(C 1-3 )alkyl, (C 6-10 )bicycloalkyl, adamantyl, phenyl, and pyridyl, all of which is optionally substituted with from1 to 4 substituents; R 3 is selected from H, (C 1-6 )alkyl, (C 3-6 )cycloalkyl, (C 3 6 )cycloalkyl(C 1-6 )alkyl, (C 6-10 )aryl, (C 6-10 )aryl(C 1-6 )alkyl, (C 2-6 )alkenyl, (C 3-6 )cycloalkyl(C 2-6 )alkenyl, (C 6-10 )aryl(C 2-6 )alkenyl, N{(C 1-6 )alkyl} 2 , NHCOO(C 1-6 )alkyl(C 6-10 )aryl, NHCO(C 6-10 )aryl, (C 1-6 )alkyl-5- or 10-atom heterocycle, having 1 to 4 heteroatoms selected from O, N and S, and 5- or 10-atom heterocycle having 1 to 4 heteroatoms selected from O, N and S; wherein said alkyl, cycloalkyl, aryl, alkenyl and heterocycle are all optionally substituted with from 1 to 4 substituents; n is zero or 1; or a detectable derivative or salt thereof. The compounds of the invention may be used as inhibitors of hepatitis C virus replication. The invention further provides a method for treating or preventing hepatitis C virus infection.

  该化合物的结构式为I:1，其中：X为CH或N；Y为O或S；Z为OH、NH2、NMeR3、NHR3、OR3或含有1至4个异原子（0、N和S）的5-或6-成员杂环，该杂环可选择性地与1至4个取代基取代；A为N、COR7或CR5，其中R5为H、卤素或（C1-6）烷基，R7为H或（C1-6）烷基，但X和A不能同时为N；R6为H、卤素、（C1-6）烷基或OR7，其中R7为H或（C1-6）烷基；R1选自包括含有1至4个异原子（O、N和S）的5-或6-成员杂环、苯基、苯基（C1-3）烷基、（C2-6）烯基、苯基（C2-6）烯基、（C3-6）环烷基、（C1-6）烷基、CF3、含有1至4个异原子（O、N和S）的9-或10-成员杂环的群体，其中该杂环、苯基、苯基（C2-6）烯基和苯基（C1-3）烷基、烯基、环烷基、（C1-6）烷基和杂环均可选择性地与1至4个取代基取代；R2选自（C1-6）烷基、（C3-7）环烷基、（C3-7）环烷基（C1-3）烷基、（C6-10）双环烷基、金刚烷基、苯基和吡啶基，所有这些基均可选择性地与1至4个取代基取代；R3选自H、（C1-6）烷基、（C3-6）环烷基、（C3-6）环烷基（C1-6）烷基、（C6-10）芳基、（C6-10）芳基（C1-6）烷基、（C2-6）烯基、（C3-6）环烷基（C2-6）烯基、（C6-10）芳基（C2-6）烯基、N(C1-6)烷基2、NHCOO(C1-6)烷基（C6-10）芳基、NHCO（C6-10）芳基、（C1-6）烷基-含有1至4个异原子（O、N和S）的5-或10-原子杂环和含有1至4个异原子（O、N和S）的5-或10-原子杂环；其中所述烷基、环烷基、芳基、烯基和杂环均可选择性地与1至4个取代基取代；n为零或1；或其可检测衍生物或盐。该发明的化合物可用作乙型肝炎病毒复制的抑制剂。该发明还提供了一种治疗或预防乙型肝炎病毒感染的方法。
• Catalytic Strategy for Regioselective Arylethylamine Synthesis
  作者：Allyson J. Boyington、Ciaran P. Seath、Avery M. Zearfoss、Zihao Xu、Nathan T. Jui

  DOI：10.1021/jacs.9b01077

  日期：2019.3.6

  modular, and practical catalytic system for the synthesis of the highly privileged phenethylamine pharmacophore is reported. Using a unique combination of organic catalysts to promote the transfer of electrons and hydrogen atoms, this system performs direct hydroarylation of vinyl amine derivatives with a wide range of aryl halides (including aryl chlorides). This general and highly chemoselective protocol

  报道了一种用于合成高度特权苯乙胺药效团的温和、模块化和实用的催化系统。该系统使用独特的有机催化剂组合来促进电子和氢原子的转移，可将乙烯基胺衍生物与各种芳基卤化物（包括芳基氯）直接加氢芳基化。这种通用且高度化学选择性的方案提供了范围广泛的具有完全区域控制的芳乙胺产品。该过程的实用性因其可扩展性和一系列生物活性小分子的模块化合成而突出。
• 一种N-甲基酪胺盐酸盐的制备方法
  申请人：广汉市派瑞林科技有限责任公司

  公开号：CN113683522A

  公开（公告）日：2021-11-23

  本发明公开了一种N‑甲基酪胺盐酸盐的制备方法，本方法使用4‑(2‑溴乙基)苯酚与适当过量的一甲胺进行胺化反应，4‑(2‑溴乙基)苯酚与一甲胺的摩尔比为1:10～30mol；同时发挥溶剂化效应，大量的稀释，大大减少了先生成的产物和后加入的4‑(2‑溴乙基)苯酚的接触反应机会；可保持较高的产物收率并同时达到较低制备成本；本发明还提供了两种简便的回收循环使用方法，可大大减少了废弃物的排放，提高了制备工艺经济效益的同时，实现了较好的环境保护效果。
• Excipient compounds for biopolymer formulations
  申请人：ReForm Biologics, LLC

  公开号：US10478498B2

  公开（公告）日：2019-11-19

  The invention encompasses formulations and methods for the production thereof that permit the delivery of concentrated protein solutions. The inventive methods can yield a lower viscosity liquid protein formulation or a higher concentration of therapeutic or nontherapeutic proteins in the liquid formulation, as compared to traditional protein solutions. The inventive methods can also yield a higher stability of a liquid protein formulation.

  本发明包括可输送浓缩蛋白质溶液的配方及其生产方法。与传统的蛋白质溶液相比，本发明的方法可以产生粘度更低的液体蛋白质制剂，或在液体制剂中产生更高浓度的治疗或非治疗蛋白质。本发明的方法还可以提高液体蛋白质制剂的稳定性。