2-(4-甲氧苯基)-2-甲基丙烷-1-胺 | 51558-25-9

• 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: 2-(4-甲氧苯基)-2-甲基丙烷-1-胺
• 英文名称: 2-methyl-2-[4-(methyloxy)phenyl]-1-propanamine
• 英文别名: 2-methyl-2-(4-(methoxyphenyl)-1-propanamine)；2-(4-methoxyphenyl)-2-methylpropane-1-amine；2-(4-methoxy-phenyl)-2-methyl-propylamine；2-(4-Methoxy-phenyl)-2-methyl-propylamin；4-methoxy-β,β-dimethylphenethylamine；2-(4-methoxyphenyl)-2-methylpropan-1-amine
• CAS: 51558-25-9
• 化学式: C₁₁H₁₇NO
• mdl: MFCD01937048
• 分子量: 179.262
• InChiKey: NKNFEEWRNMJABJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.454
• 拓扑面积：
  35.2
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2922299090
• 储存条件：
  室温

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-(4-Methoxyphenyl)-2-methylpropylamine
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: 2-(4-Methoxyphenyl)-2-methylpropylamine
CAS number: 51558-25-9

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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.
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: C11H17NO
Molecular weight: 179.3

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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：

  2-(4-甲氧苯基)-2-甲基丙烷-1-胺 在 氢溴酸 作用下， 生成 4-(2-amino-1,1-dimethyl-ethyl)-phenol
  参考文献：
  名称：

  Joensson, Acta Chemica Scandinavica (1947), 1954, vol. 8, p. 1203,1207

  摘要：

  DOI：
• 作为产物：
  描述：

  2-对甲氧基苯基-2-甲基丙腈 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 反应 4.0h， 生成 2-(4-甲氧苯基)-2-甲基丙烷-1-胺
  参考文献：
  名称：

  铜介导的分子内芳族CH胺合成吲哚啉

  摘要：

  Cu（OAc）2介导的分子内芳族CH氨化反应通过吡啶甲酰胺型双齿配位基团进行，从而以高收率递送相应的二氢吲哚。即使在无贵金属的条件下，该反应也能顺利进行，在某些情况下，使用MnO 2末端氧化剂可使该过程在Cu中催化。Cu（OAc）2和/或MnO 2的适度氧化能力适合形成富电子的噻吩和吲哚稠合的吲哚类似物。铜基系统可以为制药和药物化学中各种潜在的二氢吲哚提供有效的方法。

  DOI：

  10.1021/acs.joc.5b00307
• 作为试剂：
  描述：

  对甲氧基苯乙腈 、 、 lithium diisopropyl amide 、 环己烷 、 碘甲烷 、 2-(4-ethoxy-phenyl)-propionitrile 、 2-对甲氧基苯基-2-甲基丙腈 、 、 Lithium aluminium hydride 在 乙酸乙酯 、 magnesium sulfate 、 sodium hydroxide 、 乙醚 、 2-(4-甲氧苯基)-2-甲基丙烷-1-胺 作用下， 以 四氢呋喃 、 氯化铵 为溶剂， 反应 29.0h， 以to afford 2-(4-methoxy-phenyl)-2-methyl-propylamine [2 g, 33%, Intermediate (35)]的产率得到2-(4-甲氧苯基)-2-甲基丙烷-1-胺
  参考文献：
  名称：

  2,6-substituted-4-monosubstitutedamino-pyrimidine as prostaglandin D2 receptor antagonists

  摘要：

  本发明涉及一种式(I)化合物，其中Cy1、Cy2、L1、L2和R1的定义如本文所述，一种制药组合物，包括一种或多种式(I)化合物的药物有效量与药物可接受载体混合，以及一种治疗患有PGD2介导的疾病的患者的方法，包括但不限于过敏疾病（如过敏性鼻炎、过敏性结膜炎、特应性皮炎、支气管哮喘和食物过敏）、全身肥大细胞病、伴随全身肥大细胞激活的疾病、过敏性休克、支气管收缩、支气管炎、荨麻疹、湿疹、伴随瘙痒的疾病（如特应性皮炎和荨麻疹）、由于瘙痒行为（如搔抓和打击）引起的疾病（如白内障、视网膜脱落、炎症、感染和睡眠障碍）、炎症、慢性阻塞性肺疾病、缺血再灌注损伤、脑血管意外、慢性类风湿性关节炎、胸膜炎、溃疡性结肠炎等，通过向该患者投予符合式(I)的化合物的药物有效量实施。

  公开号：

  US07517889B2

文献信息

• N2-(2-METHOXYPHENYL)PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR CANCER PREVENTION OR TREATMENT CONTAINING SAME AS ACTIVE INGREDIENT
  申请人：KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

  公开号：US20180111905A1

  公开（公告）日：2018-04-26

  The present invention relates to a N2-(2-methoxyphenyl)pyrimidine derivative, a preparation method thereof, and a pharmaceutical composition for the prevention or treatment of cancer comprising the same as an active ingredient. The N2-(2-methoxyphenyl)pyrimidine derivative, the optical isomer thereof, or the pharmaceutically acceptable salt thereof of the present invention is very effective in suppressing anaplastic lymphoma kinase (ALK) activity and as a result it can improve the effectiveness of treatment on cancer cells having anaplastic lymphoma kinase (ALK) fusion proteins such as EML4-ALK and NPM-ALK, so that it can be effectively used as a pharmaceutical composition for preventing or treating cancer.

  本发明涉及一种N2-(2-甲氧基苯基)嘧啶衍生物，其制备方法，以及包含其作为活性成分的用于预防或治疗癌症的药物组合物。本发明的N2-(2-甲氧基苯基)嘧啶衍生物，其光学异构体，或其药学上可接受的盐对抑制间变性淋巴瘤激酶（ALK）活性非常有效，从而可以提高对具有间变性淋巴瘤激酶（ALK）融合蛋白如EML4-ALK和NPM-ALK的癌细胞的治疗效果，因此可以有效地用作预防或治疗癌症的药物组合物。
• [EN] HPPARS ACTIVATORS<br/>[FR] ACTIVATEURS DE HPPARS
  申请人：SMITHKLINE BEECHAM CORP

  公开号：WO2003074495A1

  公开（公告）日：2003-09-12

  Compounds of formula (1) or a pharmaceutically acceptable salt, solvate, acid isostere, or hydrolyzable ester thereof, are disclosed. Methods of making and using the compounds are also disclosed. In particular methods for treating diseases or conditions associated with one or more of human PPAR alpha, gamma, or delta ('hPPARs') comprising administration of a therapeutically effective amount of a compound of formula (1), are disclosed.

  公式（1）的化合物或其药学上可接受的盐、溶剂合物、酸异构体或可水解酯已被披露。还披露了制备和使用这些化合物的方法。具体披露了用于治疗与人类PPARα、γ或δ（'hPPARs'）中的一个或多个相关疾病或症状的方法，包括给予公式（1）的化合物的治疗有效量。
• Hppars activators
  申请人：Cadilla Rodolfo

  公开号：US20050137212A1

  公开（公告）日：2005-06-23

  Compounds of formula (1) or a pharmaceutically acceptable salt, solvate, acid isostere, or hydrolyzable ester thereof, are disclosed. Methods of making and using the compounds are also disclosed. In particular methods for treating diseases or conditions associated with one or more of human PPAR alpha, gamma, or delta (“hPPARs”) comprising administration of a therapeutically effective amount of a compound of formula (1), are disclosed.

  本发明揭示了化学式（1）或其药学上可接受的盐、溶剂化物、酸同位素或可水解酯的化合物。本发明还揭示了制备和使用这些化合物的方法。特别是揭示了治疗与人类PPAR alpha、gamma或delta（“hPPARs”）中的一个或多个相关的疾病或病状的方法，包括给予化学式（1）的化合物的治疗有效量。
• Acyclic Ikur inhibitors
  申请人：Johnson A. James

  公开号：US20070082909A1

  公开（公告）日：2007-04-12

  A compound of formula I wherein R 1 , R 2 , R 3 , R 4 and R 5 are described herein.

  一种化合物，其化学式为I，其中R1，R2，R3，R4和R5的描述如下。
• 2,6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS
  申请人：Lim Sungtaek

  公开号：US20070244131A1

  公开（公告）日：2007-10-18

  The present invention is directed to a compound of Formula (I) wherein Cy 1 , Cy 2 , L 1 , L 2 , and R 1 are as defined herein, a pharmaceutical composition comprising a pharmaceutically effective amount of one or more compounds according to Formula (I) in admixture with a pharmaceutically acceptable carrier, and a method of treating a patient suffering from a PGD2-mediated disorder including, but not limited to, allergic disease (such as allergic rhinitis, allergic conjunctivitis, atopic dermatitis, bronchial asthma and food allergy), systemic mastocytosis, disorders accompanied by systemic mast cell activation, anaphylaxis shock, bronchoconstriction, bronchitis, urticaria, eczema, diseases accompanied by itch (such as atopic dermatitis and urticaria), diseases (such as cataract, retinal detachment, inflammation, infection and sleeping disorders) which is generated secondarily as a result of behavior accompanied by itch (such as scratching and beating), inflammation, chronic obstructive pulmonary diseases, ischemic reperfusion injury, cerebrovascular accident, chronic rheumatoid arthritis, pleurisy, ulcerative colitis and the like by administering to said patient a pharmaceutically effective amount of a compound according to Formula (I).

  本发明涉及一种式（I）的化合物，其中Cy1，Cy2，L1，L2和R1如本文所定义，一种制药组合物，包括一种或多种按照式（I）的化合物的药物有效量与药学可接受载体的混合物，以及一种治疗患有PGD2介导的疾病的患者的方法，包括但不限于过敏性疾病（如过敏性鼻炎，过敏性结膜炎，特应性皮炎，支气管哮喘和食物过敏），全身性肥大细胞病，伴随全身性肥大细胞激活的疾病，过敏性休克，支气管收缩，支气管炎，荨麻疹，湿疹，伴随瘙痒的疾病（如特应性皮炎和荨麻疹），疾病（如白内障，视网膜脱落，炎症，感染和睡眠障碍），这些疾病是由于伴随瘙痒的行为（如搔抓和敲打）而次生产生的，炎症，慢性阻塞性肺疾病，缺血再灌注损伤，脑血管意外，慢性类风湿性关节炎，胸膜炎，溃疡性结肠炎等，通过向该患者注射按照式（I）的化合物的药物有效量。