3-氨基-4-甲氧基苯硼酸盐盐酸 | 895525-75-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 3-氨基-4-甲氧基苯硼酸盐盐酸
• 中文别名: 3-氨基-4-甲氧基苯基硼酸盐酸盐；3-氨基-4-甲氧基苯硼酸盐酸盐
• 英文名称: 3-amino-4-methoxyphenylboronic acid hydrochloride
• 英文别名: (3-Amino-4-methoxyphenyl)boronic acid hydrochloride；(3-amino-4-methoxyphenyl)boronic acid;hydrochloride
• CAS: 895525-75-4
• 化学式: C₇H₁₀BNO₃*ClH
• 分子量: 203.433
• InChiKey: AFCUBRXMMOWVNQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.62
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  75.7
• 氢给体数：
  4
• 氢受体数：
  4

SDS

Material Safety Data Sheet

---

Section 1. Identification of the substance
Product Name: 3-Amino-4-methoxyphenylboronic acid hcl
Synonyms:

---

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

---

Section 3. Composition/information on ingredients.
Ingredient name: 3-Amino-4-methoxyphenylboronic acid hcl
CAS number: 895525-75-4

---

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: C7H10BNO3.ClH
Molecular weight: 203.4

---

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, 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：

  6-溴-4H-螺[苯并[d][1,3]二噁英-2,4-哌啶]-1-羧酸叔丁酯 、 3-氨基-4-甲氧基苯硼酸盐盐酸 在 四(三苯基膦)钯 、 sodium carbonate 、 sodium hydroxide 作用下， 以 乙二醇二甲醚 、 乙醇 、 水 、 二氯甲烷 为溶剂， 生成 tert-butyl 6-(3-amino-4-methoxyphenyl)-1'H,4H-spiro[1,3-benzodioxine-2,4'-piperidine]-1'-carboxylate
  参考文献：
  名称：

  New compounds

  摘要：

  本发明涉及式(I)的化合物：其中R1、A、Y、n和m如本文所述，制备这些化合物的方法，包含这些化合物的药物组合物，以及在预防或治疗与促醒素-1受体相关的疾病和促醒素-2受体相关的疾病中使用这些化合物和组合物。这些疾病的例子包括肥胖和相关疾病，如2型糖尿病、血脂异常和代谢综合征，心血管疾病，如动脉粥样硬化性血管疾病、心绞痛、心肌梗死和中风，药物成瘾和睡眠障碍。

  公开号：

  US20060217375A1

文献信息

• New compounds
  申请人：Barker Emma

  公开号：US20060217375A1

  公开（公告）日：2006-09-28

  The present invention relates to compounds of Formula (I): wherein R 1 , A, Y, n and m are as described herein, processes for preparing the compounds, pharmaceutical compositions comprising the compounds, and use of the compounds and compositions in the prophylaxis or treatment of orexin-1 receptor-related disorders and orexin-2 receptor-related disorders. Examples of such disorders are obesity and related disorders such as diabetes type II, dyslipidemia and the metabolic syndrome, cardiovascular diseases such as atherosclerotic vascular disease, angina pectoris, myocardial infarction and stroke, drug addiction, and sleeping disorders.

  本发明涉及式(I)的化合物：其中R1、A、Y、n和m如本文所述，制备这些化合物的方法，包含这些化合物的药物组合物，以及在预防或治疗与促醒素-1受体相关的疾病和促醒素-2受体相关的疾病中使用这些化合物和组合物。这些疾病的例子包括肥胖和相关疾病，如2型糖尿病、血脂异常和代谢综合征，心血管疾病，如动脉粥样硬化性血管疾病、心绞痛、心肌梗死和中风，药物成瘾和睡眠障碍。