2-氯-5-羟基苯甲酸乙酯 | 39062-63-0

• 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-氯-5-羟基苯甲酸乙酯
• 英文名称: ethyl 2-chloro-5-hydroxybenzoate
• 英文别名: 2-chloro-5-hydroxybenzoic acid ethyl ester
• CAS: 39062-63-0
• 化学式: C₉H₉ClO₃
• 分子量: 200.622
• InChiKey: NWGGURBVGOTSEH-UHFFFAOYSA-N

物化性质

• 沸点：
  331.0±22.0 °C(Predicted)
• 密度：
  1.300±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2918290000

SDS

Material Safety Data Sheet

---

Section 1. Identification of the substance
Product Name: Ethyl 2-chloro-5-hydroxybenzoate
Synonyms:

---

Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

---

Section 3. Composition/information on ingredients.
Ingredient name: Ethyl 2-chloro-5-hydroxybenzoate
CAS number: 39062-63-0

---

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.

---

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.

---

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.

---

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:

---

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.

---

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: C9H9ClO3
Molecular weight: 200.6

---

Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, hydrogen chloride.

---

Section 11. Toxicological information
No data.

---

Section 12. Ecological information
No data.

---

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.

---

Section 14. Transportation information
Non-harzardous for air and ground transportation.

---

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.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  2-氯-5-羟基苯甲酸乙酯 在 caesium carbonate 、 一水合肼 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 、 环己醇 为溶剂， 反应 28.0h， 生成 1-[4-Chloro-3-(7-methyl-2,4,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenoxy]-2-methylpropan-2-ol
  参考文献：
  名称：

  4-Methyl-2,3,5,9,9b-pentaaza-cyclopenta[a]naphthalenes

  摘要：

  这项发明涉及一般式(I)的4-甲基-2,3,5,9,9b-五氮杂-环戊[α]萘衍生物，它们是磷酸二酯酶2和/或10的抑制剂，可用于治疗中枢神经系统疾病和其他疾病。此外，该发明涉及制备药物组合物的方法，以及根据该发明制造化合物的方法。

  公开号：

  US20140045856A1
• 作为产物：
  描述：

  乙醇 、 2-氯-5-羟基苯甲酸 以 苯 为溶剂， 生成 2-氯-5-羟基苯甲酸乙酯
  参考文献：
  名称：

  氟芬那酸代谢物I和II与其他N-芳基邻氨基苯甲酸的合成

  摘要：

  氟芬那酸的两种代谢物，5-羟基的合成ñ - （ααα三氟米间-甲苯基）邻氨基苯甲酸和ñ - （4-羟基- ααα三氟米间-甲苯基）邻氨基苯甲酸，进行说明。据报道，在缺少羧基的芳基环中的许多其他的N，芳基-邻氨基苯甲酸的被单，二，三和四取代的合成，并且在两个芳基环中都具有取代基。

  DOI：

  10.1039/p19730000001

文献信息

• 4-Methyl-2,3,5,9,9b-pentaaza-cyclopenta[a]naphthalenes
  申请人：GIOVANNINI Riccardo

  公开号：US20140045856A1

  公开（公告）日：2014-02-13

  The invention relates to 4-methyl-2,3,5,9,9b-pentaaza-cyclopenta[a]naphthalene derivatives of general formula (I) which are inhibitors of phosphodiesterase 2 and/or 10, useful in treating central nervous system diseases and other diseases. In addition, the invention relates to processes for preparing pharmaceutical compositions as well as processes for manufacture the compounds according to the invention.

  这项发明涉及一般式(I)的4-甲基-2,3,5,9,9b-五氮杂-环戊[α]萘衍生物，它们是磷酸二酯酶2和/或10的抑制剂，可用于治疗中枢神经系统疾病和其他疾病。此外，该发明涉及制备药物组合物的方法，以及根据该发明制造化合物的方法。
• Substituted benzamides with activity towards EP4 receptors
  申请人：Almirall, S.A.

  公开号：EP2765128A1

  公开（公告）日：2014-08-13

  The present invention belongs to the field of EP4 receptor ligands. More specifically it refers to compounds of general formula (I) having great affinity and selectivity for the EP4 receptor. The invention also refers to the process for their preparation, to their use as medicament for the treatment and/or prophylaxis of diseases or disorders mediated by the EP4 receptor as well as to pharmaceutical compositions comprising them.

  这项发明属于EP4受体配体领域。更具体地，它涉及具有对EP4受体具有很高亲和力和选择性的一般式(I)化合物。该发明还涉及它们的制备过程，以及它们作为药物用于治疗和/或预防由EP4受体介导的疾病或紊乱，以及包含它们的药物组合物。
• [EN] SUBSTITUTED BENZAMIDES WITH ACTIVITY TOWARDS EP4 RECEPTORS<br/>[FR] BENZAMIDES SUBSTITUÉS MANIFESTANT UNE ACTIVITÉ VIS-À-VIS DES RÉCEPTEURS EP4
  申请人：DRACONIS PHARMA S L

  公开号：WO2014122267A1

  公开（公告）日：2014-08-14

  The present invention belongs to the field of EP4 receptor ligands. More specifically it refers to compounds of general formula (I) having great affinity and selectivity for the EP4 receptor. The invention also refers to the process for their preparation, to their use as medicament for the treatment and/or prophylaxis of diseases or disorders mediated by the EP4 receptor as well as to pharmaceutical compositions comprising them.

  本发明属于EP4受体配体领域。更具体地，它涉及具有对EP4受体具有很高亲和力和选择性的一般式(I)化合物。该发明还涉及它们的制备方法，以及它们作为治疗和/或预防由EP4受体介导的疾病或紊乱的药物使用，以及包含它们的药物组合物。
• Substituted pyrido[3,2-E][1,2,4]-triazolo[4,3-A]pyrazines for the treatment of central nervous system disorders
  申请人：Giovannini Riccardo

  公开号：US09085584B2

  公开（公告）日：2015-07-21

  The compounds are of the class of pyrido[3,2-e][1,2,4]-tiazolo[4,3-a]pyrazines, useful in the treatment of central nervous system disorders. A species illustrative of members of the class is the following:

  这些化合物属于吡啶并[3,2-e][1,2,4]-噻唑并[4,3-a]吡嗪类，对治疗中枢神经系统疾病有用。该类成员的一个代表物种如下：
• SUBSTITUTED BENZAMIDES WITH ACTIVITY TOWARDS EP4 RECEPTORS
  申请人：DRACONIS PHARMA, S.L.

  公开号：US20150376129A1

  公开（公告）日：2015-12-31

  The present invention belongs to the field of EP4 receptor ligands. More specifically it refers to compounds of general formula (I) having great affinity and selectivity for the EP4 receptor. The invention also refers to the process for their preparation, to their use as medicament for the treatment and/or prophylaxis of diseases or disorders mediated by the EP4 receptor as well as to pharmaceutical compositions comprising them.

  本发明属于EP4受体配体领域。更具体地说，它涉及具有对EP4受体具有高亲和力和选择性的一般式(I)化合物。本发明还涉及它们的制备过程，以及它们作为治疗和/或预防EP4受体介导的疾病或疾病的药物的使用，以及包含它们的制药组合物。