2-氨基-6-甲基苯甲醚 | 18102-30-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 2-氨基-6-甲基苯甲醚
• 中文别名: 2-甲氧基-3-甲基苯胺
• 英文名称: 2-methoxy-3-methylaniline
• CAS: 18102-30-2
• 化学式: C₈H₁₁NO
• 分子量: 137.181
• InChiKey: FMLJHAHJVYPRAV-UHFFFAOYSA-N

物化性质

• 沸点：
  115 °C(Press: 20 Torr)
• 密度：
  1.039±0.06 g/cm3(Predicted)
• 溶解度：
  可溶于乙腈（少许）、氯仿（少许）、DMSO、甲醇（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 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
• 危险性防范说明：
  P233,P260,P261,P264,P270,P271,P280,P301+P312,P302+P352,P304,P304+P340,P305+P351+P338,P312,P321,P330,P332+P313,P337+P313,P340,P362,P403,P403+P233,P405,P501
• 危险性描述：
  H315,H319,H335
• 储存条件：
  室温

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-Methoxy-3-methylaniline
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-Methoxy-3-methylaniline
CAS number: 18102-30-2

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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: C8H11NO
Molecular weight: 137.2

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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：

  2-氨基-6-甲基苯甲醚 在 盐酸 、 硝酸 作用下， 生成 2-甲基-4-硝基苯甲醚
  参考文献：
  名称：

  Simonsen; Nayak, Journal of the Chemical Society, 1915, vol. 107, p. 833

  摘要：

  DOI：
• 作为产物：
  描述：

  2-甲基-6-硝基茴香醚 在 铁粉 、 溶剂黄146 作用下， 以 水 为溶剂， 反应 17.0h， 以98%的产率得到2-氨基-6-甲基苯甲醚
  参考文献：
  名称：

  Trabectidin 异喹啉代谢物 ETM-204 的全合成

  摘要：

  Ecteinascidin-743 (Trabectidin, Trabectedin ® , Yondelis ® ) 是一种合成获得的药物，最初是从海洋被囊类动物中分离出来的。Trabectedin 用于软组织肉瘤和卵巢癌的化疗。在 Trabectedin 的生物转化和降解研究中发现了异喹啉代谢物 ETM-204。我们报告了 ETM-204 的首次全合成及其完整的光谱表征，证实了假定的结构。从 2-甲基-6-硝基苯酚开始的 12 步合成的核心要素是铜介导的碘芳烃向苯酚的转化、Skattebøl 甲酰化和修饰的 Pomeranz-Fritsch 环化以组装异喹啉环。可以澄清其视觉吸光度的 pH 依赖性。 图形摘要

  DOI：

  10.1007/s00706-021-02844-1

文献信息

• PRODUCTION METHOD FOR ISOCYANATE COMPOUND
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：US20180354894A1

  公开（公告）日：2018-12-13

  The present invention provides a process for producing an isocyanate compound such as 3-methyl-2-methoxymethyl-1-isocyanate benzene and the like. By reacting 3-Methyl-2-methoxymethyl aniline and the like with phosgene in the presence of a tertiary amine at 10° C. to 14° C. in one or more solvents selected from the group consisting of toluene and xylene, isocyanate compounds such as 3-methyl-2-methoxymethyl-1-isocyanate benzene and the like can be produced at high yield.

  本发明提供了一种生产异氰酸酯化合物的方法，例如3-甲基-2-甲氧基甲基-1-异氰酸酯苯等。通过将3-甲基-2-甲氧基甲基苯胺等与光气在存在三级胺的情况下，在10°C至14°C的温度下，以及在从甲苯和二甲苯中选择的一种或多种溶剂中进行反应，可以高收率地生产出3-甲基-2-甲氧基甲基-1-异氰酸酯苯等异氰酸酯化合物。
• Amination of Arenes with<i>N</i>,<i>N</i>-Dimethyl-2-imidazolidinone<i>O</i>-Methoxyacetyloxime
  作者：Nicolas Baldovini、Mitsuru Kitamura、Koichi Narasaka

  DOI：10.1246/cl.2003.548

  日期：2003.6

  Treatment of nucleophilic arenes with N,N-dimethyl-2-imidazolidinone O-methoxyacetyloxime and SnCl4 produced the corresponding N-arylimines, which were converted to anilines by hydrolysis with CsOH and to N-methylanilines by LiAlH4 reduction.

  使用N,N-二甲基-2-咪唑啉酮O-甲氧基乙酰肟和SnCl4处理亲核芳香烃，生成了相应的N-芳基亚胺，通过与CsOH水解转化为苯胺，或通过LiAlH4还原转化为N-甲基苯胺。
• [EN] 5-[3-[PIPERIDIN-1-YL]-3-OXO-PROPYL]-IMIDAZOLIDINE-2,4-DIONE DERIVATIVES AS ADAMTS 4 AND 5 INHIBITORS FOR TREATING E.G. OSTEOARTHRITIS<br/>[FR] DÉRIVÉS DE 5-[3-[PIPÉRIDIN-1-YL]-3-OXO-PROPYL]-IMIDAZOLIDINE-2,4-DIONE EN TANT QU'INHIBITEURS D'ADAMTS 4 ET 5 POUR LE TRAITEMENT, PAR EXEMPLE, DE L'ARTHROSE
  申请人：GALAPAGOS NV

  公开号：WO2017211667A1

  公开（公告）日：2017-12-14

  The present invention discloses 5-[3-[piperazin-l-yl]-3-oxo-propyl]-imidazolidine-2,4-dione derivatives according to Formula (I), wherein R1, R2, R3a, R3b, R6a, R6b, the subscript n and Cy are as defined herein. The present invention relates to compounds inhibiting ADAMTS 4 and 5 for the prophylaxis or treatment of inflammatory diseases or diseases involving degradation of cartilage or disruption of cartilage homeostasis, such as e.g. osteoarthritis.

  本发明揭示了根据式(I)的5-[3-[哌嗪-1-基]-3-氧代丙基]-咪唑啉-2,4-二酮衍生物，其中R1、R2、R3a、R3b、R6a、R6b、下标n和Cy如本文所定义。本发明涉及抑制ADAMTS 4和5的化合物，用于预防或治疗炎症性疾病或涉及软骨降解或软骨稳态破坏的疾病，例如骨关节炎。
• [EN] PYRROLO[3,2-C]PYRIDIN-4-ONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER<br/>[FR] DÉRIVÉS DE PYRROLO[3,2-C]PYRIDIN-4-ONE UTILES DANS LE TRAITEMENT DU CANCER
  申请人：SCORPION THERAPEUTICS INC

  公开号：WO2022066734A1

  公开（公告）日：2022-03-31

  This disclosure provides chemical entities of Formula (I) (e.g., a compound or a pharmaceutically acceptable salt, and/or hydrate, and/ or cocrystal, and/or drug combination of the compound) that inhibit epidermal growth factor receptor (EGFR, ERBB 1) and/or Human epidermal growth factor receptor 2 (HER2, ERBB2). These chemical entities are useful, e.g., for treating a condition, disease or disorder in which increased (e.g., excessive) EGFR and/or HER2 activation contributes to the pathology and/or symptoms and/or progression of the condition, disease or disorder (e.g., cancer) in a subject (e.g., a human). This disclosure also provides compositions containing the same as well as methods of using and making the same.

  本公开提供了化学实体的化学式(I)（例如，一种化合物或药用可接受的盐，和/或水合物，和/或共晶体，和/或该化合物的药物组合物），这些化学实体抑制表皮生长因子受体（EGFR，ERBB 1）和/或人表皮生长因子受体2（HER2，ERBB2）。这些化学实体可用于治疗某种情况、疾病或紊乱，其中增加（例如，过度）的EGFR和/或HER2激活导致该情况、疾病或紊乱的病理学症状和/或进展（例如，癌症）在一个受试者（例如，人类）中。本公开还提供含有相同化学实体的组合物，以及使用和制备这些组合物的方法。
• MENTHYL CARBAMATE COMPOUNDS AS SKIN AND/OR HAIR LIGHTENING ACTIVES
  申请人：Vielhaber Gabriele

  公开号：US20130129646A1

  公开（公告）日：2013-05-23

  The present invention relates to the cosmetic, dermatological or pharmaceutical (therapeutic) use of compounds of formula (I) or a cosmetically acceptable salt of a compound of formula (I) or a mixture containing two or more of these compounds or the salts thereof wherein R 1 denotes hydrogen or an organic radical having 1 to 14 carbon atoms, R 2 denotes an organic radical having 1 to 14 carbon atoms, and wherein optionally R 1 and R 2 are covalently bonded to one another, preferably so that a 3 to 8 membered ring is formed, for the lightening of skin and/or hair. The invention further relates to compositions and cosmetic, dermatological or pharmaceutical preparations (compositions) comprising one or more compounds of formula (I) suitable for lightening human skin and/or hair and corresponding methods. The invention further relates to compounds of formula (I) as a drug, their use for the preparation of a pharmaceutical composition for lightening human skin and/or hair and to certain novel compounds of formula (I).

  本发明涉及化妆品、皮肤科或药用（治疗）用途的化合物的使用，其化学式为（I）或者化学式（I）的化妆品可接受的盐，或者含有两种或更多这些化合物或其盐的混合物，其中R1代表氢或具有1至14个碳原子的有机基，R2代表具有1至14个碳原子的有机基，可选地R1和R2彼此共价结合，最好形成3至8成员环，用于美白皮肤和/或头发。该发明还涉及包含一种或多种化学式（I）化合物的组合物和适用于美白人类皮肤和/或头发的化妆品、皮肤科或药用制剂（组合物）及相应的方法。该发明还涉及化学式（I）化合物作为药物，其用于制备用于美白人类皮肤和/或头发的药用组合物以及某些新的化学式（I）化合物。