环己烯-1-基硼酸 | 89490-05-1

• 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 - 有机酸及其衍生物 - 硼酸衍生物
• 中文名称: 环己烯-1-基硼酸
• 中文别名: 环己烯-1-硼酸；1-环己烯硼酸
• 英文名称: cyclohex-1-enylboronic acid
• 英文别名: cyclohex-1-en-1-ylboronic acid；cyclohexen-1-ylboronic acid；cyclohexenylboronic acid；1-cyclohexenylboronic acid；1-cyclohexen-1-yl-boronic acid；(cyclohexene-1-yl)boronic acid；1-cyclohexene-1-ylboronic acid；cyclohexenyl-1-boronic acid；cyclohexene-1-boronic acid；1-cyclohexeneboronic acid；cyclohexeneboronic acid
• CAS: 89490-05-1
• 化学式: C₆H₁₁BO₂
• mdl: MFCD02179497
• 分子量: 125.963
• InChiKey: XZWQKJXJNKYMAP-UHFFFAOYSA-N

物化性质

• 熔点：
  165°C
• 沸点：
  261.9±33.0 °C(Predicted)
• 密度：
  1.05±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.96
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.666
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2931900090
• 危险性防范说明：
  P261,P280,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H332,H335
• 储存条件：
  请保持冷静。

SDS

Material Safety Data Sheet

---

Section 1. Identification of the substance
Product Name: Cyclohexen-1-ylboronic acid
Synonyms: 1-Cyclohexen-1-yl-boronic acid

---

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
P405: Store locked up

---

Section 3. Composition/information on ingredients.
Ingredient name: Cyclohexen-1-ylboronic acid
CAS number: 89490-05-1

---

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.
Storage: Store in closed vessels, under −20◦C.

---

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
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C6H11BO2
Molecular weight: 126.0

---

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

---

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：

  环己烯-1-基硼酸 在 盐酸 、 4-二甲氨基吡啶 、 manganese(IV) oxide 、 bis-triphenylphosphine-palladium(II) chloride 、 lithium aluminium tetrahydride 、 palladium 10% on activated carbon 、 氢溴酸 、 氢气 、 potassium carbonate 、 溶剂黄146 作用下， 以 四氢呋喃 、 甲醇 、 正庚烷 、 二氯甲烷 、 丙酮 、 甲苯 为溶剂， 20.0~95.0 ℃ 、450.01 kPa 条件下， 反应 15.5h， 生成 辛波莫德
  参考文献：
  名称：

  [EN] PROCESS FOR PREPARING N-(4-CYCLOHEXYL-3-TRIFLUOROMETHYL-BENZYLOXY)-ACETIMIDIC ACID ETHYL ESTER
  [FR] PROCÉDÉ DE PRÉPARATION D'ESTER ÉTHYLIQUE D'ACIDE N-(4-CYCLOHEXYL-3-TRIFLUOROMÉTHYL-BENZYLOXY) ACÉTIMIDIQUE

  摘要：

  该发明涉及一种合成N-(4-环己基-3-三氟甲基苄氧基)-乙酰亚胺酸乙酯的新工艺，以及用于这种工艺的式I化合物和其他中间体。

  公开号：

  WO2013113915A1
• 作为产物：
  描述：

  1-环己烯基-1-甲酸甲酯 在 溴 、 碘 、 magnesium 、 potassium hydroxide 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 为溶剂， 反应 0.5h， 生成 环己烯-1-基硼酸
  参考文献：
  名称：

  一种制备环戊(己)烯-1-硼酸频那醇酯的方法

  摘要：

  本发明公开了一种从环戊(己)烯‑1‑羧酸甲酯出发，经过三步连续操作制备环戊(己)烯‑1‑硼酸频那醇酯的方法。首先原料经过碱解形成相应的烯基‑1‑羧酸；随后与溴素加成，接着在DBU或DMAP存在下，同时发生消除和脱羧生成环戊(己)烯‑1‑溴；最后环戊(己)烯‑1‑溴、甲氧基硼酸频那醇酯在金属镁存在下一锅法成酯得到环戊(己)烯‑1‑硼酸频那醇酯。本发明所提供的工艺方法连续性强，操作简便，无需低温反应，同时也可以高纯度得到环戊(己)烯‑1‑澳中间体，满足市场上需求。一锅法格氏/酯化，操作上更便捷，副产物少，产品更容易精馏提纯。

  公开号：

  CN104788481B
• 作为试剂：
  描述：

  (1S,1'S)-1,1'-(4,4'-(biphenyl-4,4'-diyl)bis(1H-imidazole-4,2-diyl))bis(2,2-dimethylpropan-1-amine) tetrahydrochloride 在 四(三苯基膦)钯 、 N,N-二异丙基乙胺 、 环己烯-1-基硼酸 作用下， 以 乙腈 为溶剂， 反应 4.0h， 生成 5-bromo-N-[(1S)-1-[5-[4-[4-[2-[(1S)-2,2-dimethyl-1-(pyrimidin-2-ylamino)propyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]pyrimidin-2-amine
  参考文献：
  名称：

  [EN] COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS
  [FR] ASSOCIATIONS D'INHIBITEURS DU VIRUS DE L'HÉPATITE C

  摘要：

  本公开涉及抗病毒化合物，更具体地涉及能够抑制由丙型肝炎病毒（HCV）编码的NS5A蛋白功能的化合物组合，包括这种组合的组合物，以及抑制NS5A蛋白功能的方法。

  公开号：

  WO2015005901A1

文献信息

• 有害生物防除方法
  申请人：住友化学株式会社

  公开号：JP2021152084A

  公开（公告）日：2021-09-30

  【課題】有害生物の防除方法を提供すること。【解決手段】式（Ｉ）〔式（Ｉ）中、ＱはＱ１で示される基（●はベンゼン環との結合部位を表す）等を表し、Ｅは、Ｃ１−Ｃ６鎖式炭化水素基等を表し、Ｒ1は、Ｃ１−Ｃ３鎖式炭化水素基等を表し、ｎは、０、１、２又は３を表し、ｎが２又は３である場合、複数のＲ2は同一又は異なっていてもよく、Ｒ2は、Ｃ１−Ｃ３鎖式炭化水素基等を表す。〕で示される化合物、又はそのＮオキシド若しくはそれらの塩は有害生物を防除することができる。【選択図】なし

  提供有害生物防治方法。在式（Ｉ）中，Ｑ代表基（●表示与苯环结合部位），Ｅ代表Ｃ₁−Ｃ₆链状烃基，Ｒ₁代表Ｃ₁−Ｃ₃链状烃基，ｎ代表０、１、２或３，若ｎ为２或３，则多个Ｒ₂可相同或不同，Ｒ₂代表Ｃ₁−Ｃ₃链状烃基。所述化合物、其Ｎ氧化物或盐可防治有害生物。【选择图】无
• COMPOUNDS AND USES THEREOF
  申请人：Yumanity Therapeutics, Inc.

  公开号：US20190330198A1

  公开（公告）日：2019-10-31

  The present invention features compounds useful in the treatment of neurological disorders. The compounds of the invention, alone or in combination with other pharmaceutically active agents, can be used for treating or preventing neurological disorders.

  本发明涉及用于治疗神经系统疾病的化合物。本发明的化合物可以单独或与其他药用活性剂结合使用，用于治疗或预防神经系统疾病。
• A Broad‐Spectrum Synthesis of Tetravinylethylenes
  作者：Kelsey L. Horvath、Christopher G. Newton、Kimberley A. Roper、Jas S. Ward、Michael S. Sherburn

  DOI：10.1002/chem.201900550

  日期：2019.3.15

  compounds of the tetravinylethylene (TVE) family is reported. Ramirez‐type dibromo‐olefination of readily accessible penta‐1,4‐dien‐3‐ones generates 3,3‐dibromo[3]dendralenes, which undergo twofold Negishi, Suzuki–Miyaura or Mizoroki–Heck reactions with a wide variety of olefinic coupling partners. This route delivers a broad range of unsymmetrically substituted tetravinylethylenes with up to three

  报道了四乙烯基乙烯（TVE）家族化合物的第一个一般合成。容易获得的五-1,4-二烯-3-酮的拉米雷斯型二溴烯烃化反应生成3,3-二溴[3]树枝状烯，它们经历了两次Negishi，Suzuki-Miyaura或Mizoroki-Heck反应，并带有多种烯烃耦合伙伴。该途径提供了范围广泛的不对称取代的四乙烯基乙烯，其具有多达三个不同的烯基取代基连接至中央C = C键。该方法的广泛范围通过制备第一个更高阶的通过共轭/交叉共轭杂化化合物形成的低级烯烃。显示不对称取代的TVE经历了具有高位点选择性和非对映选择性的多米诺骨化电环化反应，
• [EN] GLYCOLATE OXIDASE INHIBITORS FOR THE TREATMENT OF DISEASE<br/>[FR] INHIBITEURS DE GLYCOLATE OXYDASE POUR LE TRAITEMENT D'UNE MALADIE
  申请人：BIOMARIN PHARM INC

  公开号：WO2020257487A1

  公开（公告）日：2020-12-24

  Described herein are compounds, methods of making such compounds, pharmaceutical compositions and medicaments containing such compounds, and methods of using such compounds to treat or prevent diseases or disorders associated with a defect in glyoxylate metabolism, for example a disease or disorder associated with the enzyme glycolate oxidase (GO) or alterations in oxalate metabolism. Such diseases or disorders include, for example, disorders of glyoxylate metabolism, including primary hyperoxaluria, that are associated with production of excessive amounts of oxalate.

  本文描述了化合物、制备这种化合物的方法、含有这种化合物的药物组合物和药物，以及使用这种化合物治疗或预防与甘氧酸代谢缺陷相关的疾病或紊乱的方法，例如与甘氧酸氧化酶（GO）或草酸代谢变化相关的疾病或紊乱。这些疾病或紊乱包括与产生过多草酸相关的甘氧酸代谢紊乱，例如原发性高草酸尿症。
• 2-Amino-quinazolin-5-ones
  申请人：Bellamacina R. Cornelia

  公开号：US20070027150A1

  公开（公告）日：2007-02-01

  2-Amino-quinazolin-5-one compounds, stereoisomers, tautomers, pharmaceutically acceptable salts, and prodrugs thereof; compositions that include a pharmaceutically acceptable carrier and one or more of the 2-amino-quinazolin-5-one compounds, either alone or in combination with at least one additional therapeutic agent. Methods of using the 2-amino-quinazolin-5-one compounds, either alone or in combination with at least one additional therapeutic agent, in the prophylaxis or treatment of cell proliferative diseases.

  2-氨基喹唑啉-5-酮化合物，立体异构体，互变异构体，药学上可接受的盐及其前药；包括药学上可接受的载体和一种或多种2-氨基喹唑啉-5-酮化合物的组合物，可以单独使用或与至少一种额外治疗剂结合使用。使用2-氨基喹唑啉-5-酮化合物的方法，可以单独使用或与至少一种额外治疗剂结合使用，用于预防或治疗细胞增殖性疾病。