4-氨基-3-羟基苯甲酸甲酯 | 63435-16-5

• 物质功能分类: 化学试剂 - 有机试剂 - 酯类
• 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-氨基-3-羟基苯甲酸甲酯
• 英文名称: 3-hydroxy-4-aminobenzoic acid methyl ester
• 英文别名: methyl 4-Amino-3-hydroxybenzoate
• CAS: 63435-16-5
• 化学式: C₈H₉NO₃
• mdl: MFCD00017093
• 分子量: 167.164
• InChiKey: OCZXDVNSNDITBS-UHFFFAOYSA-N

物化性质

• 熔点：
  120-122°C
• 沸点：
  364.5±27.0 °C(Predicted)
• 密度：
  1.305±0.06 g/cm3(Predicted)
• 稳定性/保质期：
  远离氧化物。

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  72.6
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT
• 安全说明：
  S26,S36
• 海关编码：
  2922509090
• 危险品标志：
  Xi
• 危险类别码：
  R36/37/38
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  存放在密封容器中，并置于阴凉、干燥处。请务必远离氧化剂。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Methyl 4-amino-3-hydroxybenzoate
Product Name:
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H315: Causes skin irritation
H319: Causes serious eye irritation
H335: May cause respiratory irritation
P261: Avoid breathing dust/fume/gas/mist/vapours/spray
Wear protective gloves/protective clothing/eye protection/face protection
P280:
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing
P304+P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing
P405: Store locked up

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Section 3. Composition/information on ingredients.
Methyl 4-amino-3-hydroxybenzoate
Ingredient name:
CAS number: 63435-16-5

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Section 4. First aid measures
Immediately wash skin with copious amounts of water for at least 15 minutes while removing
Skin contact:
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.
Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.
Ingestion:

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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.
Storage: Store in closed vessels.

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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
Not specified
Appearance:
Boiling point: No data
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C8H9NO3
Molecular weight: 167.2

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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-3-羟基苯甲酸甲酯 在 水 、 碳酸氢钠 、 对甲苯磺酸 、 potassium hydroxide 作用下， 以 四氢呋喃 、 乙醇 、 水 、 甲苯 为溶剂， 反应 35.5h， 生成 他发米帝司甲葡胺
  参考文献：
  名称：

  [EN] PROCESS FOR PREPARING 1-DEOXY-1-METHYLAMINO-D-GLUCITOL 2-(3,5-DICHLOROPHENYL)-6-BENZOXAZOLECARBOXYLATE
  [FR] PROCÉDÉ DE PRÉPARATION DE 1-DÉSOXY-1-MÉTHYLAMINO-D-GLUCITOL 2-(3,5-DICHLOROPHÉNYL)-6-BENZOXAZOLECARBOXYLATE

  摘要：

  本发明涉及一种改进的制备1-去氧-1-甲基氨基-D-葡萄糖醇2-(3,5-二氯苯基)-6-苯并噁唑羧酸盐，也称为美格霉胺甲戊醇盐的过程。本发明的工艺特别适用于工业规模生产高纯度和高产率的美格霉胺甲戊醇盐。

  公开号：

  WO2020207753A1
• 作为产物：
  描述：

  3-羟基-4-硝基苯甲酸甲酯 在 palladium on carbon 、 氢气 作用下， 以 乙醇 为溶剂， 生成 4-氨基-3-羟基苯甲酸甲酯
  参考文献：
  名称：

  SB-334867 的二芳基脲类似物作为食欲素 1 受体拮抗剂

  摘要：

  作为我们开发 OX1-CB1 二价配体计划的一部分，我们需要更好地了解食欲素拮抗剂的基本构效关系 (SAR)。合成了一系列 SB-334867 类似物，并在钙动员测定中进行了评估。SAR 结果表明，2-甲基苯并恶唑部分可以被双取代的 4-氨基苯基取代而不会失去活性，并且缺电子系统通常在 1,5-萘啶部分用于 OX1 拮抗剂活性。特别是，较大的潜在接头如正己基的取代提供了化合物33与先导化合物 SB-334867 相比，对 OX1 受体具有同等活性。这些化合物在开发靶向orexin-1受体及其潜在异源二聚体的配体方面应该具有价值。

  DOI：

  10.1016/j.bmcl.2011.03.048
• 作为试剂：
  描述：

  原乙酸三甲酯 、 碳酸氢钠 在 硫酸 作用下， 以 甲醇 、 水 、 乙酸乙酯 、 4-氨基-3-羟基苯甲酸甲酯 为溶剂， 生成 2-甲基苯并[d]噁唑-6-羧酸甲酯
  参考文献：
  名称：

  Heterocyclic N-acetonylbenzamides

  摘要：

  本文披露了某些N-乙酰基苯甲酰胺及其作为杀菌剂的用途。所披露的N-乙酰基苯甲酰胺含有与芳香环融合的杂环环。这些化合物对于卵菌类植物病原真菌特别有效。同时还披露了一种通过施用本发明的一种或多种杂环N-乙酰基苯甲酰胺以及一种或多种额外杀菌化合物来控制植物病原真菌的方法。

  公开号：

  US05811427A1

文献信息

• ANTI-EGFR ANTIBODY DRUG CONJUGATES
  申请人：AbbVie Inc.

  公开号：US20190153107A1

  公开（公告）日：2019-05-23

  The invention relates to anti-Epidermal Growth Factor Receptor (EGFR) antibody drug conjugates (ADCs) which inhibit Bcl-xL, including compositions and methods of using said ADCs.

  这项发明涉及抑制Bcl-xL的抗表皮生长因子受体（EGFR）抗体药物结合物（ADCs），包括使用所述ADCs的组合物和方法。
• [EN] BICYCLIC HYDROXAMIC ACIDS USEFUL AS INHIBITORS OF MAMMALIAN HISTONE DEACETYLASE ACTIVITY<br/>[FR] ACIDES HYDROXAMIQUES BICYCLIQUES UTILES COMME INHIBITEURS DE L'ACTIVITÉ HISTONE DÉSACÉTYLASE CHEZ LE MAMMIFÈRE
  申请人：KANCERA AB

  公开号：WO2017108282A1

  公开（公告）日：2017-06-29

  A compound of formula (Ia) or (Ib) or a pharmaceutically acceptable salt thereof. The compound is an inhibitor of a histone deacetylase, and as such is useful in terepy, e.g. in the treatment of autoimmune disorders, mental disorders, neurodegenerative disorders, and hyperproliferative disorders.

  化合物的化学式（Ia）或（Ib）或其药学上可接受的盐。该化合物是组蛋白去乙酰化酶的抑制剂，因此在治疗自身免疫性疾病、精神障碍、神经退行性疾病和过度增生性疾病等方面非常有用。
• [EN] P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN<br/>[FR] ANTAGONISTES DU RÉCEPTEUR P2X3 POUR LE TRAITEMENT DE LA DOULEUR
  申请人：MERCK SHARP & DOHME

  公开号：WO2010111058A1

  公开（公告）日：2010-09-30

  The subject invention relates to novel P2X3 receptor antagonists that play a critical role in treating disease states associated with pain, in particular peripheral pain, inflammatory pain, or tissue injury pain that can be treated using a P2X3 receptor subunit modulator.

  该发明涉及新型P2X3受体拮抗剂，其在治疗与疼痛相关的疾病状态中发挥关键作用，特别是可以使用P2X3受体亚单位调节剂来治疗的外周疼痛、炎症性疼痛或组织损伤疼痛。
• Substituted Isoquinolinones and Quinazolinones
  申请人：BERGHAUSEN Joerg

  公开号：US20110230457A1

  公开（公告）日：2011-09-22

  The invention relates to substituted nitrogen containing bicyclic heterocycles of the formula (I) wherein Z is CH 2 or N—R 4 and X, R 1 , R 2 , R 4 , R 6 , R 7 and n are as defined in the description. Such compounds are suitable for the treatment of a disorder or disease which is mediated by the activity of MDM2 and/or MDM4, or variants thereof.

  这项发明涉及公式（I）中的取代氮含有的双环杂环化合物，其中Z为CH2或N—R4，X、R1、R2、R4、R6、R7和n的定义如描述中所述。这类化合物适用于治疗由MDM2和/或MDM4的活性介导的疾病或疾病变体。
• Method of treating cancer
  申请人：——

  公开号：US20030220241A1

  公开（公告）日：2003-11-27

  The present invention relates to methods of treating cancer using a combination of a compound which is a PSA conjugate and a compound which is a inhibitor of prenyl-protein transferase, which methods comprise administering to said mammal, either sequentially in any order or simultaneously, amounts of at least two therapeutic agents selected from a group consisting of a compound which is a PSA conjugate and a compound which is a inhibitor of prenyl-protein transferase. The invention also relates to methods of preparing such compositions.

  本发明涉及使用一种PSA共轭物和一种前脂蛋白转移酶抑制剂的组合治疗癌症的方法，该方法包括向所述哺乳动物施用来自以下组中选择的至少两种治疗剂的量，所述组包括一种PSA共轭物和一种前脂蛋白转移酶抑制剂，所述治疗剂可以顺序给药或同时给药。该发明还涉及制备这种组合物的方法。

表征谱图