4-羧基萘-1-硼酸 | 332398-57-9

• 物质功能分类: 化学试剂 - 有机试剂 - 硼酸
• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: 4-羧基萘-1-硼酸
• 英文名称: 4-carboxynaphthalene-1-boronic acid
• 英文别名: 4-carboxy-1-naphthylboronic acid；4-borononaphthalene-1-carboxylic acid
• CAS: 332398-57-9
• 化学式: C₁₁H₉BO₄
• mdl: MFCD06203538
• 分子量: 216.001
• InChiKey: SRYYKYNBMCQCAB-UHFFFAOYSA-N

物化性质

• 沸点：
  502.3±52.0 °C(Predicted)
• 密度：
  1.42±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.16
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  77.8
• 氢给体数：
  3
• 氢受体数：
  4

安全信息

• 危险品标志：
  Xi
• 危险性防范说明：
  P210,P261,P264,P271,P280,P302+P352,P304+P340,P305+P351+P338,P312,P332+P313,P337+P313,P362,P370+P378,P403+P233,P403+P235,P405,P501
• 危险性描述：
  H315,H319,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-Carboxynaphthalene-1-boronic acid
Synonyms: 4-Borono-1-naphthoic acid; 4-carboxynaphthalen-1-ylboronic acid; 4-borononaphthalene-1-carboxylic
acid

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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
P280: Wear protective gloves/protective clothing/eye protection/face protection
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
Store locked up
P405:

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Section 3. Composition/information on ingredients.
Ingredient name: 4-Carboxynaphthalene-1-boronic acid
CAS number: 332398-57-9

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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.
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.
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
Appearance: Not specified
Boiling point: No data
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C11H9BO4
Molecular weight: 216.0

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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.

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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-羧基萘-1-硼酸 、 3-bromo-2,6-dimethylpyridine hydrochloride 在 四(三苯基膦)钯 sodium carbonate 作用下， 以 乙二醇二甲醚 、 水 为溶剂， 反应 18.0h， 以69%的产率得到4-(2,6-dimethylpyridin-3-yl)-1-naphthoic acid
  参考文献：
  名称：

  PIPERAZINE DERIVATIVES AS 5-HT1B ANTAGONISTS

  摘要：

  公开号：

  EP1216239B1
• 作为产物：
  描述：

  4-甲基-1-萘硼酸 在 potassium permanganate 、 sodium hydroxide 作用下， 以 水 为溶剂， 反应 3.5h， 以58%的产率得到4-羧基萘-1-硼酸
  参考文献：
  名称：

  Benzoimidazole derivatives and pharmaceutical composition comprising the same

  摘要：

  本文披露了作为vanilloid受体-1拮抗剂的新型苯并咪唑衍生物，以及包含它们的药物组合物。它们在预防或治疗疼痛、急性疼痛、慢性疼痛、神经痛、术后疼痛、偏头痛、关节痛、神经病变、神经损伤、糖尿病性神经病变、神经系统疾病、神经性皮炎、中风、膀胱过敏、肠易激综合征、哮喘、慢性阻塞性肺病等疾病方面具有用处，还包括烧伤、牛皮癣、瘙痒、呕吐、皮肤、眼睛和粘膜刺激、胃十二指肠溃疡、炎症性肠道疾病和炎症性疾病。

  公开号：

  US09199965B2

文献信息

• Piperazine derivatives as 5-HT1B antagonists
  申请人：SmithKline Beecham p.I.c.

  公开号：US20040176388A1

  公开（公告）日：2004-09-09

  Piperazine derivatives of formula (I) processes for their preparation, pharmaceutical compositions containing them and to their use in therapy as 5-HT 1B antagonists. W,Y,R a -R e are so defined in the application. 1

  公式(I)的吡哆醇衍生物，其制备方法，包含它们的制药组合物以及它们作为5-HT1B拮抗剂在治疗中的应用。其中，W，Y，Ra-Re在申请中有定义。
• PIPERAZINE DERIVATIVES AS 5-HT1B ANTAGONISTS
  申请人：SmithKline Beecham plc

  公开号：EP1216239B1

  公开（公告）日：2004-02-11
• Benzoimidazole derivatives and pharmaceutical composition comprising the same
  申请人：Kim Ji Duck

  公开号：US09199965B2

  公开（公告）日：2015-12-01

  Disclosed herein are novel benzoimidazole derivatives functioning as antagonists to vanilloid receptor-1, and a pharmaceutical composition comprising the same. They are useful in preventing or treating pain, acute pain, chronic pain, neuropathic pain, postoperative pain, migraines, arthralgia, neuropathy, nerve injury, diabetic neuropathy, neurological illness, neurodermatitis, strokes, bladder hypersensitivity, irritable bowel syndrome, respiratory disorders such as asthma, chronic obstructive pulmonary disease, etc., burns, psoriasis, itching, vomiting, irritation of the skin, eyes, and mucous membranes, gastric-duodenal ulcers, inflammatory intestinal diseases, and inflammatory diseases.

  本文披露了作为vanilloid受体-1拮抗剂的新型苯并咪唑衍生物，以及包含它们的药物组合物。它们在预防或治疗疼痛、急性疼痛、慢性疼痛、神经痛、术后疼痛、偏头痛、关节痛、神经病变、神经损伤、糖尿病性神经病变、神经系统疾病、神经性皮炎、中风、膀胱过敏、肠易激综合征、哮喘、慢性阻塞性肺病等疾病方面具有用处，还包括烧伤、牛皮癣、瘙痒、呕吐、皮肤、眼睛和粘膜刺激、胃十二指肠溃疡、炎症性肠道疾病和炎症性疾病。