4-氨基-2-甲氧基苯酚 | 52200-90-5

• 物质功能分类: 有机原料 - 醇、酚、酚醇类化合物及衍生物 - 酚及其卤化、磺化、硝化或亚硝化衍生物
• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 中文名称: 4-氨基-2-甲氧基苯酚
• 中文别名: 4-氨基愈创木酚；4-羟基-3-甲氧基苯胺
• 英文名称: 4-amino-2-methoxyphenol
• 英文别名: 2-methoxy-4-aminophenol；4-Amino-guajacol
• CAS: 52200-90-5
• 化学式: C₇H₉NO₂
• mdl: MFCD01707809
• 分子量: 139.154
• InChiKey: MCNBYOWWTITHIG-UHFFFAOYSA-N

物化性质

• 熔点：
  178.0 to 182.0 °C
• 沸点：
  308.1±27.0 °C(Predicted)
• 密度：
  1.219±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  55.5
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2922509090
• 危险性防范说明：
  P261,P280,P305+P351+P338
• 危险性描述：
  H302+H312+H332,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: 4-Amino-2-methoxyphenol
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: 4-Amino-2-methoxyphenol
CAS number: 52200-90-5

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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: C7H9NO2
Molecular weight: 139.2

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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：

  4-氨基-2-甲氧基苯酚 在 三溴化硼 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以90%的产率得到4-氨基-1,2-苯二醇
  参考文献：
  名称：

  PENAM DERIVATIVES FOR TREATING BACTERIAL INFECTIONS

  摘要：

  本文描述的新型铁螯合基团共轭的青霉素衍生物表现出抗菌活性，可用作抗菌剂或β-内酰胺酶抑制剂（BLIs），与其他抗菌剂联合应用具有价值。

  公开号：

  US20210070774A1
• 作为产物：
  描述：

  3-硝基苯甲醚 在 sulfonic acid 、 氢化铝 作用下， 生成 4-氨基-2-甲氧基苯酚
  参考文献：
  名称：

  Process for preparing aminophenols

  摘要：

  公开号：

  US02525515A1

文献信息

• New Analgesics Synthetically Derived from the Paracetamol Metabolite <i>N</i>-(4-Hydroxyphenyl)-(5<i>Z</i>,8<i>Z</i>,11<i>Z</i>,14<i>Z</i>)-icosatetra-5,8,11,14-enamide
  作者：Christian Sinning、Bernhard Watzer、Ovidiu Coste、Rolf M. Nüsing、Ingo Ott、Alessia Ligresti、Vincenzo Di Marzo、Peter Imming

  DOI：10.1021/jm800807k

  日期：2008.12.25

  N-(4-hydroxyphenyl)-(5Z,8Z,11Z,14Z)-icosatetra-5,8,11,14-enamide (AM404) is a metabolite of the well-known analgesic paracetamol. AM404 inhibits endocannabinoid cellular uptake, binds weakly to CB1 and CB2 cannabinoid receptors, and is formed by fatty acid amide hydrolase (FAAH) in vivo. We prepared three derivatives of this new (endo)cannabinoid using bioisosteric replacement (1), homology (2), and derivatization (3)

  N-（4-羟基苯基）-（5Z，8Z，11Z，14Z）-二十碳五，8,11,14-酰胺（AM404）是众所周知的止痛药扑热息痛的代谢产物。AM404抑制内源性大麻素的细胞摄取，与CB1和CB2大麻素受体弱结合，并由体内的脂肪酸酰胺水解酶（FAAH）形成。我们使用AM404中4-氨基苯酚部分的生物立体置换（1），同源性（2）和衍生化（3），制备了这种新的（内切）大麻素的三种衍生物，并针对CB1，CB2和FAAH进行了测试。我们发现对两种大麻素受体的亲和力等于或大于AM404。从C20到C2的酰基链缩短导致了三个新的扑热息痛类似物：N-（1H-吲唑-5-基）乙酰胺（5），N-（4-羟基苄基）乙酰胺（6）和N-（4-羟基-3-甲氧基苯基）乙酰胺（7）。同样，分别针对CB1，CB2、5、6和7进行了测试，和FAAH，没有明显的活动。但是，在全血测定中，5和7表现得像环氧合酶抑制剂。最后，在小鼠福尔马林测试中，5（50
• Discovery of a Pyrimidinedione Derivative as a Potent and Orally Bioavailable Axl Inhibitor
  作者：Hefeng Zhang、Xia Peng、Yang Dai、Jingwei Shao、Yinchun Ji、Yiming Sun、Bo Liu、Xu Cheng、Jing Ai、Wenhu Duan

  DOI：10.1021/acs.jmedchem.0c02093

  日期：2021.4.8

  therapeutics. We used molecular modeling-assisted structural optimization starting with the low micromolar potency compound 9 to discover compound 13c, a highly potent and orally bioavailable Axl inhibitor. Selectivity profiling showed that 13c could inhibit the well-known oncogenic kinase Met with equal potency to its inhibition of Axl superfamily kinases. Compound 13c significantly inhibited cellular Axl and

  受体酪氨酸激酶 Axl 在促进癌症进展、转移和耐药性中发挥重要作用，并已被确定为抗癌治疗的有希望的靶点。我们从低微摩尔效力化合物9开始，使用分子建模辅助结构优化来发现化合物13c ，这是一种高效且可口服生物利用的 Axl 抑制剂。选择性分析表明， 13c可以抑制众所周知的致癌激酶 Met，其抑制 Axl 超家族激酶的效力相同。化合物13c显着抑制细胞Axl和Met信号传导，抑制Axl和Met驱动的细胞增殖，并抑制Gas6/Axl介导的癌细胞迁移或侵袭。此外， 13c在 Axl 驱动和 Met 驱动的肿瘤异种移植模型中表现出显着的抗肿瘤功效，在耐受良好的剂量下导致肿瘤停滞或消退。所有这些有利的数据使13c成为癌症治疗的有前途的候选药物。
• Vanilloid receptor ligands and their use in treatments
  申请人：——

  公开号：US20030195201A1

  公开（公告）日：2003-10-16

  Compounds having the general structure 1 and compositions containing them, for the treatment of acute, inflammatory and neuropathic pain, dental pain, general headache, migraine, cluster headache, mixed-vascular and non-vascular syndromes, tension headache, general inflammation, arthritis, rheumatic diseases, osteoarthritis, inflammatory bowel disorders, inflammatory eye disorders, inflammatory or unstable bladder disorders, psoriasis, skin complaints with inflammatory components, chronic inflammatory conditions, inflammatory pain and associated hyperalgesia and allodynia, neuropathic pain and associated hyperalgesia and allodynia, diabetic neuropathy pain, causalgia, sympathetically maintained pain, deafferentation syndromes, asthma, epithelial tissue damage or dysfunction, herpes simplex, disturbances of visceral motility at respiratory, genitourinary, gastrointestinal or vascular regions, wounds, burns, allergic skin reactions, pruritis, vitiligo, general gastrointestinal disorders, gastric ulceration, duodenal ulcers, diarrhea, gastric lesions induced by necrotising agents, hair growth, vasomotor or allergic rhinitis, bronchial disorders or bladder disorders.

  具有一般结构1的化合物以及含有它们的组合物，用于治疗急性疼痛、炎症性和神经性疼痛、牙痛、普通头痛、偏头痛、丛集性头痛、混合性血管和非血管综合症、紧张性头痛、一般炎症、关节炎、风湿病、骨关节炎、炎症性肠病、炎症性眼病、炎症性或不稳定的膀胱病、银屑病、具有炎症成分的皮肤疾病、慢性炎症状况、炎症性疼痛及其相关的过度疼痛和异常疼痛、神经性疼痛及其相关的过度疼痛和异常疼痛、糖尿病性神经病疼痛、灼痛、交感神经维持的疼痛、去神经综合症、哮喘、上皮组织损伤或功能障碍、单纯疱疹、在呼吸、生殖泌尿、胃肠或血管区域的内脏运动障碍、伤口、烧伤、过敏性皮肤反应、瘙痒、白癜风、一般胃肠病、胃溃疡、十二指肠溃疡、腹泻、由坏死性剂引起的胃部病变、毛发生长、血管运动性或过敏性鼻炎、支气管障碍或膀胱障碍。
• Nanocrystalline Pt-CeO₂as an efficient catalyst for a room temperature selective reduction of nitroarenes
  作者：Astha Shukla、Rajib Kumar Singha、Takehiko Sasaki、Rajaram Bal

  DOI：10.1039/c4gc01664e

  日期：——

  We have developed 2–5 nm Pt nanoparticles supported on CeO₂nanoparticles which shows chemoselective hydrogenation of nitro compounds in the presence of molecular hydrogen with >99.9% conversion and 99% selectivity at room temperature.

  我们开发了在CeO₂纳米颗粒上支撑的2-5纳米Pt纳米颗粒，它在室温下在分子氢存在下对硝基化合物进行化学选择性加氢，转化率超过99.9%，选择性达到99%。
• [EN] PYRAZOLO [4, 3-D] PYRIMIDINES USEFUL AS KINASE INHIBITORS<br/>[FR] PYRAZOLO[4,3-D]PYRIMIDINES UTILES EN TANT QU'INHIBITEURS DE KINASES
  申请人：ORIGENIS GMBH

  公开号：WO2012143144A1

  公开（公告）日：2012-10-26

  The present invention relates to novel compounds of formula (I) that are capable of inhibiting one or more kinases, especially SYK (Spleen Tyrosine Kinase), LRRK2 (Leucine-rich repeat kinase 2) and/or MYLK (Myosin light chain kinase) or mutants thereof. The compounds find applications in the treatment of a variety of diseases. These diseases include autoimmune diseases, inflammatory diseases, bone diseases, metabolic diseases, neurological and neurodegenerative diseases, cancer, cardiovascular diseases, allergies, asthma, alzheimer's disease, parkinson's disease, skin disorders, eye diseases, infectious diseases and hormone-related diseases.

  本发明涉及一种能够抑制一个或多个激酶，特别是SYK（脾酪氨酸激酶）、LRRK2（富含亮氨酸重复的激酶2）和/或MYLK（肌球蛋白轻链激酶）或其突变体的化合物的新颖化合物（I）的公式。这些化合物在治疗各种疾病中发挥作用。这些疾病包括自身免疫疾病、炎症性疾病、骨疾病、代谢性疾病、神经和神经退行性疾病、癌症、心血管疾病、过敏、哮喘、阿尔茨海默病、帕金森病、皮肤疾病、眼部疾病、传染病和与激素相关的疾病。