2-羟基-3-甲氧基苯甲酰胺 | 26751-04-2

• 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-羟基-3-甲氧基苯甲酰胺
• 英文名称: 2-hydroxy-3-methoxybenzamide
• 英文别名: methoxysalicylamide
• CAS: 26751-04-2
• 化学式: C₈H₉NO₃
• mdl: MFCD06357904
• 分子量: 167.164
• InChiKey: DPIPILRTESRLHA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 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：
  3

安全信息

• 海关编码：
  2924299090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-Hydroxy-3-methoxybenzamide
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-Hydroxy-3-methoxybenzamide
CAS number: 26751-04-2

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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.
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: 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：

  2-羟基-3-甲氧基苯甲酰胺 、 4-(4-(4-fluorophenyl)-5,6-dihydropyridin-1(2H)-yl)butanal 在 对甲苯磺酸 作用下， 以 甲苯 为溶剂， 反应 16.0h， 以18%的产率得到2-(3-(4-(4-fluorophenyl)-5,6-dihydropyridine-1(2H)-yl)propyl)-8-methoxy-2H-benzo[e][1,3]oxazin-4(3H)-one
  参考文献：
  名称：

  폴리(ADP-리보스)폴리머라제-1(PARP-1) 관련 질환의 예방 또는 치료용 약학적 조성물

  摘要：

  本发明涉及一种新型化合物，其制备方法以及用作预防或治疗与聚(ADP-核糖)聚合酶-1(PARP-1)相关疾病的药学组合物，根据本发明，新型PARP-1抑制化合物在纳摩尔浓度下表现出优异的PARP-1抑制效果，并且在眼部疾病或障碍，特别是视网膜疾病中表现出优秀的细胞保护效果(细胞凋亡抑制效果)，因此，含有该化合物作为有效成分的PARP-1相关疾病，例如眼部疾病或障碍的预防或治疗药学组合物具有显著的效果。

  公开号：

  KR20180056603A
• 作为产物：
  描述：

  3-甲氧基水杨酸 在 硫酸 、 氨 作用下， 以 甲醇 为溶剂， 反应 32.0h， 生成 2-羟基-3-甲氧基苯甲酰胺
  参考文献：
  名称：

  폴리(ADP-리보스)폴리머라제-1(PARP-1) 관련 질환의 예방 또는 치료용 약학적 조성물

  摘要：

  本发明涉及一种新型化合物，其制备方法以及用作预防或治疗与聚(ADP-核糖)聚合酶-1(PARP-1)相关疾病的药学组合物，根据本发明，新型PARP-1抑制化合物在纳摩尔浓度下表现出优异的PARP-1抑制效果，并且在眼部疾病或障碍，特别是视网膜疾病中表现出优秀的细胞保护效果(细胞凋亡抑制效果)，因此，含有该化合物作为有效成分的PARP-1相关疾病，例如眼部疾病或障碍的预防或治疗药学组合物具有显著的效果。

  公开号：

  KR20180056603A

文献信息

• A mild and expeditious synthesis of amides from aldehydes using bio glycerol-based carbon as a recyclable catalyst
  作者：K. Ramesh、S. Narayana Murthy、K. Karnakar、K. Harsha Vardhan Reddy、Y.V.D. Nageswar、M. Vijay、B.L.A. Prabhavathi Devi、R.B.N. Prasad

  DOI：10.1016/j.tetlet.2012.03.051

  日期：2012.5

  The new bioglycerol-based carbon catalyst acts as an efficient, readily available, and reusable catalyst for the synthesis of amides, when aldehyde and hydroxylamine hydrochloride react in acetonitrile.

  当醛和盐酸羟胺在乙腈中反应时，这种新型的基于生物甘油的碳催化剂可作为一种高效，易于获得且可重复使用的催化剂，用于合成酰胺。
• PARP inhibitors
  申请人：Javaid Hashim Muhammad

  公开号：US20060135770A1

  公开（公告）日：2006-06-22

  A compound of the formula (I): and isomers, salts, solvates, chemically protected forms, and prodrugs thereof, wherein: R 2 , R 3 , R 4 and R 5 are independently selected from the group consisting of H, C 1-7 alkoxy, amino, halo or hydroxy; n is 1 or 2; R N1 and R N2 are independently selected from H and R, where R is optionally substituted C 1-10 alkyl, C 3-20 heterocyclyl and C 5-20 aryl; or R N1 and R N2 , together with the nitrogen atom to which they are attached form an optionally substituted 5-7 membered, nitrogen containing, heterocylic ring; Het is selected from: where Y 1 and Y 3 are independently selected from CH and N, Y 2 is selected from CX and N and X is H, Cl or F; and where Q is O or S.

  公式（I）的化合物及其异构体、盐、溶剂合物、化学保护形式和前药，其中：R2、R3、R4和R5分别选自H、C1-7烷氧基、氨基、卤素或羟基的群；n为1或2；RN1和RN2分别选自H和R，其中R是可选择地取代的C1-10烷基、C3-20杂环烷基和C5-20芳基；或RN1和RN2与它们连接的氮原子一起形成一个可选择地取代的5-7成员的含氮杂环环；Het选自：其中Y1和Y3分别选自CH和N，Y2选自CX和N，X为H、Cl或F；以及Q为O或S。
• Di-Vanilloyl And Tri-Vanilloyl Derivatives For Use In Anti-Cancer Therapy
  申请人：Kiss Robert

  公开号：US20110280940A1

  公开（公告）日：2011-11-17

  The invention relates to the medical field, more precisely in the field of anti-cancer treatment and treatment of Alzheimer's disease, Parkinson's disease or Pick's disease or for ameliorating symptoms of Down syndrome, providing newly synthesised multi-vanilloyl derivative compounds and their use in the treatment of said disorders.

  该发明涉及医学领域，更精确地说是抗癌治疗和治疗阿尔茨海默病、帕金森病或皮克氏病或改善唐氏综合症症状的领域，提供新合成的多香豆酰衍生物化合物及其在治疗上述疾病中的应用。
• Ultraviolet absorber composition and resin composition stabilized with the absorber composition
  申请人：Fujifilm Corporation

  公开号：EP2267067A1

  公开（公告）日：2010-12-29

  An ultraviolet absorber composition is provided and includes: a compound represented by formula (I); and an ultraviolet absorber having a maximum absorption at a wavelength of from 340 to 400 nm: R1a, R1b, R1c, R1d, R1e, R1f, R1g, R1h, R1i, and R1j each independently represent a hydrogen atom or a monovalent substituent except OH, or adjacent two of R1a, R1b, R1c, R1d, R1e, R1f, R1g, R1h, R1i, and R1j may be taken together to form a ring; R1k, R1m, R1n, and R1p each independently represent a hydrogen atom or a monovalent substituent, or adjacent two of R1k, R1m, R1n, and R1p may be taken together to form a ring; and at least one of R1a, R1b, R1c, R1d, R1e, R1f, R1g, R1h, R1i, R1j, R1k, R1m, R1n, and R1p is a substituent having a positive σp value in Hammett equation.

  提供了一种紫外线吸收剂组合物，其中包括：一种由式 (I) 代表的化合物；以及一种紫外线吸收剂，其最大吸收波长为 340 至 400 纳米： R1a、R1b、R1c、R1d、R1e、R1f、R1g、R1h、R1i 和 R1j 各自独立地代表氢原子或除 OH 以外的单价取代基，或 R1a、R1b、R1c、R1d、R1e、R1f、R1g、R1h、R1i 和 R1j 中的相邻两个可结合在一起形成一个环；R1k、R1m、R1n 和 R1p 各自独立地代表一个氢原子或一个一价取代基，或 R1k、R1m、R1n 和 R1p 中相邻的两个可结合在一起形成一个环；且 R1a、R1b、R1c、R1d、R1e、R1f、R1g、R1h、R1i、R1j、R1k、R1m、R1n 和 R1p 中至少有一个是在哈密方程中具有正 σp 值的取代基。
• Triazine derivative, ultraviolet absorber composition and resin composition stabilized with the absorber composition
  申请人：Fujifilm Corporation

  公开号：EP2261279A1

  公开（公告）日：2010-12-15

  A compound is provided and is represented by the following Formula (1): R1a, R1b, R1c, R1d, and R1e each independently represents a hydrogen atom or a monovalent substituent other than OH with a proviso that at least one substituent has a positive σp value in Hammett equation and substituents may be coupled to each other to form a ring; R1f, R1g, R1h, R1i, and R1j each independently represents a hydrogen atom or a monovalent substituent other than OH with a proviso that substituents may be coupled to each other to form a ring; and R1k, R1m, R1n, and R1p each independently represents a hydrogen atom or a monovalent substituent with a proviso that substituents may be coupled to each other to form a ring.

  提供了一种化合物，由下式（1）表示： R1a、R1b、R1c、R1d 和 R1e 各自独立地代表氢原子或除羟基以外的一价取代基，但至少有一个取代基在哈米特方程中具有正 σp 值，且取代基可以相互偶联形成环；R1f、R1g、R1h、R1i 和 R1j 各自独立地代表氢原子或除羟基以外的一价取代基，但取代基可相互偶联形成环；以及 R1k、R1m、R1n 和 R1p 各自独立地代表氢原子或一价取代基，但取代基可相互偶联形成环。