4-环丙基苯硼酸 | 302333-80-8

• 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 - 苯和取代衍生物
• 中文名称: 4-环丙基苯硼酸
• 英文名称: (4-cyclopropylphenyl)boronic acid
• 英文别名: p-cyclopropylbenzeneboronic acid；4-Cyclopropylphenylboronic acid
• CAS: 302333-80-8
• 化学式: C₉H₁₁BO₂
• mdl: MFCD01309064
• 分子量: 161.996
• InChiKey: YNLGFXOBRXSMJZ-UHFFFAOYSA-N

物化性质

• 沸点：
  320.3±35.0 °C(Predicted)
• 密度：
  1.17

计算性质

• 辛醇/水分配系数(LogP)：
  2.33
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2931900090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  室温环境下。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-Cyclopropylphenylboronic acid
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: 4-Cyclopropylphenylboronic acid
CAS number: 302333-80-8

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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, refrigerated.
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: C9H11BO2
Molecular weight: 162.0

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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-环丙基苯硼酸 在 ammonium hydroxide 、 copper(ll) sulfate pentahydrate 、 sodium hydroxide 作用下， 反应 16.0h， 生成 4-环丁烷基苯胺
  参考文献：
  名称：

  [EN] IMMUNOREGULATORY AGENTS
  [FR] AGENTS IMMUNORÉGULATEURS

  摘要：

  公开号：

  WO2016073738A3
• 作为产物：
  描述：

  硼酸三异丙酯 在 正丁基锂 、 盐酸 、 水 作用下， 以 四氢呋喃 、 正己烷 、 甲苯 为溶剂， 反应 0.5h， 以60%的产率得到4-环丙基苯硼酸
  参考文献：
  名称：

  WO2007/93610

  摘要：

  公开号：

文献信息

• [EN] INHIBITORS OF APOL1 AND USE OF THE SAME<br/>[FR] INHIBITEURS D'APOL1 ET LEUR UTILISATION
  申请人：VERTEX PHARMA

  公开号：WO2021252859A1

  公开（公告）日：2021-12-16

  The disclosure provides at least one compound, deuterated derivative, or pharmaceutically acceptable salt chosen from compounds of formula (I), deuterated derivatives thereof, and pharmaceutically acceptable salts of any of the foregoing, compositions comprising the same, and methods of making and using the same, including use in treating APOL1 mediated kidney disease.

  本公开提供了至少一种化合物、重氢化衍生物或药用可接受的盐，选自公式(I)化合物、其重氢化衍生物以及任何前述物质的药用可接受的盐，包含同一的组成物，以及制造和使用同一的方法，包括用于治疗APOL1介导的肾脏疾病。
• [EN] TREATMENT OF METABOLIC DISORDERS IN EQUINE ANIMALS<br/>[FR] TRAITEMENT DE TROUBLES MÉTABOLIQUES CHEZ DES ÉQUIDÉS
  申请人：BOEHRINGER INGELHEIM VETMED

  公开号：WO2014161836A1

  公开（公告）日：2014-10-09

  The present invention relates to SGLT2 inhibitor or a pharmaceutically acceptable form thereof for use in the treatment and/or prevention of a metabolic disorder of an equine animal. In particular, the present invention relates the SGLT2 inhibitor or a pharmaceutically acceptable form thereof for use in the treatment and/or prevention of insulin resistance, hyperinsulinemia, impaired glucose tolerance, dyslipidemia, dysadipokinemia, subclinical inflammation, systemic inflammation, low grade systemic inflammation, obesity, and/or regional adiposity in an equine animal.

  本发明涉及SGLT2抑制剂或其药用可接受形式，用于治疗和/或预防马类动物的代谢紊乱。具体而言，本发明涉及SGLT2抑制剂或其药用可接受形式，用于治疗和/或预防马类动物的胰岛素抵抗、高胰岛素血症、糖耐量受损、血脂异常、脂联素异常、亚临床炎症、全身炎症、低级全身炎症、肥胖和/或局部脂肪堆积。
• TREATMENT OF METABOLIC DISORDERS IN EQUINE ANIMALS
  申请人：REICHE Dania Birte

  公开号：US20140303096A1

  公开（公告）日：2014-10-09

  The present invention relates to SGLT2 inhibitor or a pharmaceutically acceptable form thereof for use in the treatment and/or prevention of a metabolic disorder of an equine animal. In particular, the present invention relates the SGLT2 inhibitor or a pharmaceutically acceptable form thereof for use in the treatment and/or prevention of insulin resistance, hyperinsulinemia, impaired glucose tolerance, dyslipidemia, dysadipokinemia, subclinical inflammation, systemic inflammation, low grade systemic inflammation, obesity, and/or regional adiposity in an equine animal.

  本发明涉及SGLT2抑制剂或其药用可接受形式，用于治疗和/或预防马类动物的代谢紊乱。具体而言，本发明涉及SGLT2抑制剂或其药用可接受形式，用于治疗和/或预防马类动物的胰岛素抵抗、高胰岛素血症、糖耐量受损、血脂异常、脂联素异常、亚临床炎症、全身炎症、低级全身炎症、肥胖和/或局部脂肪堆积。
• [EN] TREATMENT OF METABOLIC DISORDERS IN CANINE ANIMALS<br/>[FR] TRAITEMENT DE TROUBLES MÉTABOLIQUES CHEZ DES ANIMAUX CANINS
  申请人：BOEHRINGER INGELHEIM VETMED

  公开号：WO2015110402A1

  公开（公告）日：2015-07-30

  The present invention relates to one or more SGLT2 inhibitors or pharmaceutically acceptable forms thereof for use in the treatment and/or prevention of a metabolic disorder in a canine animal, preferably wherein the metabolic disorder is one or more selected from the group consisting of: ketoacidosis, pre-diabetes, insulin dependent diabetes mellitus, insulin resistance diabetes,insulin resistance, obesity, hyperglycemia, hyperglycemia induced cataract formation, impaired glucose tolerance, hyperinsulinemia, dyslipidemia, dysadipokinemia, subclinical inflammation, systemic inflammation, low grade systemic inflammation, hepatic lipidosis, inflammation of the pancreas, metabolic disorder consequences, such as hypertension, renal dysfunction and/or muscoskeletal disorders, and/or Syndrome X (metabolic syndrome), wherein preferably the development of hyperglycemia induced cataract formation is prevented or remission is achieved and/or wherein preferably the development of metabolic disorder consequences, such as hypertension, renal dysfunction and/or muscoskeletal disorders, is prevented or progression is slowed or remission is achieved.

  本发明涉及一种或多种SGLT2抑制剂或其药用可接受形式，用于治疗和/或预防犬类动物的代谢紊乱，最好是其中代谢紊乱是从以下组中选择的一种或多种：酮症酸中毒，糖尿病前期，胰岛素依赖型糖尿病，胰岛素抵抗糖尿病，胰岛素抵抗，肥胖，高血糖，高血糖诱导的白内障形成，糖耐量受损，高胰岛素血症，血脂异常，脂联素异常，亚临床炎症，全身炎症，低级全身炎症，肝脂肪变性，胰腺炎炎症，代谢紊乱后果，如高血压，肾功能障碍和/或肌肉骨骼疾病，和/或综合征X（代谢综合征），最好是其中防止或缓解高血糖诱导的白内障形成，和/或最好是其中防止代谢紊乱后果，如高血压，肾功能障碍和/或肌肉骨骼疾病的发展，或减缓进展或缓解。
• Alkyl Carbagermatranes Enable Practical Palladium-Catalyzed sp²–sp³ Cross-Coupling
  作者：Meng-Yu Xu、Wei-Tao Jiang、Ying Li、Qing-Hao Xu、Qiao-Lan Zhou、Shuo Yang、Bin Xiao

  DOI：10.1021/jacs.9b02776

  日期：2019.5.8

  be highly reactive in cross-coupling reactions with our newly developed electron-deficient phosphine ligands. Generally, secondary alkyl carbagermatranes show slightly lower, yet comparable activity to its Sn analogue. Meanwhile, primary alkyl carbagermatranes exhibit high activity, and they were also proved stable enough to be compatible with various reactions. Chiral secondary benzyl carbagermatrane

  钯催化的交叉偶联反应在过去几十年中取得了巨大的成就。然而，由于与 C(sp2) 杂交对应物相比，C(sp3) 杂交亲核试剂的金属转移缓慢，因此它们通常仍然是具有挑战性的偶联伙伴。虽然使用 C(sp3)-杂化亲核试剂的基于单电子转移的策略最近取得了重大进展，但在涉及 C(sp3)-杂化亲核试剂的传统双电子机制方面取得的突破较少。在本报告中，我们展示了一系列独特的烷基卡巴格马酯，它们被证明在与我们新开发的缺电子膦配体的交叉偶联反应中具有高反应性。通常，仲烷基卡巴格马特拉的活性略低，但与其 Sn 类似物的活性相当。同时，伯烷基卡巴杰马酯具有高活性，并且它们也被证明足够稳定以与各种反应相容。手性仲苄基卡巴杰马特拉在无碱/无添加剂条件下得到偶联产物，其构型完全反转，表明金属转移是在“SE2(open) Inv”途径中进行的，这与 Hiyama 之前的观察结果一致。值得注意的是，伯烷基卡巴格马特拉的交