4-(叔丁氧基羰基)苯基硼酸频哪醇酯 | 850568-72-8

• 物质功能分类: 化学试剂 - 有机试剂 - 磺酸/亚磺酸
• 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-(叔丁氧基羰基)苯基硼酸频哪醇酯
• 中文别名: 4-(叔丁氧基羰基)苯硼酸频哪酯；4-叔丁氧基羰基苯基硼酸；4-(叔丁氧羰基)苯硼酸；4-叔丁氧基羰基苯硼酸
• 英文名称: tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
• 英文别名: 4-(tert-butoxycarbonyl)phenylboronic acid pinacol ester；t-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate；tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxoborolan-2-yl)benzoate；4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzoic acid tert-butyl ester
• CAS: 850568-72-8
• 化学式: C₁₇H₂₅BO₄
• 分子量: 304.194
• InChiKey: GNXLDEFJAZGNCJ-UHFFFAOYSA-N

物化性质

• 熔点：
  128-132
• 沸点：
  389.1±25.0 °C(Predicted)
• 密度：
  1.04±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.94
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 危险品标志：
  Xi
• 海关编码：
  2934999090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  保持冷静

SDS

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SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name : 4-(Tert-Butoxycarbonyl)Phenylboronic Acid Pinacol
Ester
: ANV00230
REACH No. : A registration number is not available for this substance as the substance
or its uses are exempted from registration, the annual tonnage does not
require a registration or the registration is envisaged for a later
registration deadline.

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SECTION 2: Hazards identification
Classification of the substance or mixture
Not a hazardous substance or mixture according to Regulation (EC) No. 1272/2008.
This substance is not classified as dangerous according to Directive 67/548/EEC.
Label elements
The product does not need to be labelled in accordance with EC directives or respective national laws.
Other hazards
This substance/mixture contains no components considered to be either persistent, bioaccumulative and
toxic (PBT), or very persistent and very bioaccumulative (vPvB) at levels of 0.1% or higher.

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SECTION 3: Composition/information on ingredients
Substances
Molecular weight : 304,2 g/mol
No components need to be disclosed according to the applicable regulations.

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SECTION 4: First aid measures
Description of first aid measures
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration.
In case of skin contact
Wash off with soap and plenty of water.
In case of eye contact
Flush eyes with water as a precaution.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water.
Most important symptoms and effects, both acute and delayed
The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in
section 11
Indication of any immediate medical attention and special treatment needed
No data available

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SECTION 5: Firefighting measures
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Nature of decomposition products not known.
Advice for firefighters
Wear self-contained breathing apparatus for firefighting if necessary.
Further information
No data available

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SECTION 6: Accidental release measures
Personal precautions, protective equipment and emergency procedures
Avoid dust formation. Avoid breathing vapours, mist or gas.
For personal protection see section 8.
Environmental precautions
No special environmental precautions required.
Methods and materials for containment and cleaning up
Sweep up and shovel. Keep in suitable, closed containers for disposal.
Reference to other sections
For disposal see section 13.

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SECTION 7: Handling and storage
Precautions for safe handling
Provide appropriate exhaust ventilation at places where dust is formed.
For precautions see section 2.2.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Storage class (TRGS 510): Non Combustible Solids
Specific end use(s)
Apart from the uses mentioned in section 1.2 no other specific uses are stipulated

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SECTION 8: Exposure controls/personal protection
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
General industrial hygiene practice.
Personal protective equipment
Eye/face protection
Use equipment for eye protection tested and approved under appropriate government standards
such as NIOSH (US) or EN 166(EU).
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
Body Protection
Choose body protection in relation to its type, to the concentration and amount of dangerous
substances, and to the specific work-place., The type of protective equipment must be selected
according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
Respiratory protection is not required. Where protection from nuisance levels of dusts are desired,
use type N95 (US) or type P1 (EN 143) dust masks. Use respirators and components tested and
approved under appropriate government standards such as NIOSH (US) or CEN (EU).
Control of environmental exposure
No special environmental precautions required.

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SECTION 9: Physical and chemical properties
Information on basic physical and chemical properties
a) Appearance Form: solid
b) Odour No data available
c) Odour Threshold No data available
d) pH No data available
e) Melting point/freezing No data available
point
f) Initial boiling point and No data available
boiling range
g) Flash point No data available
h) Evaporation rate No data available
i) Flammability (solid, gas) No data available
j) Upper/lower No data available
flammability or
explosive limits
k) Vapour pressure No data available
l) Vapour density No data available
m) Relative density No data available
n) Water solubility No data available
o) Partition coefficient: n- No data available
octanol/water
p) Auto-ignition No data available
temperature
q) Decomposition No data available
temperature
r) Viscosity No data available
s) Explosive properties No data available
t) Oxidizing properties No data available
Other safety information
No data available

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SECTION 10: Stability and reactivity
Reactivity
No data available
Chemical stability
Stable under recommended storage conditions.
Possibility of hazardous reactions
No data available
Conditions to avoid
No data available
Incompatible materials
Strong oxidizing agents
Hazardous decomposition products
In the event of fire: see section 5

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SECTION 11: Toxicological information
Information on toxicological effects
Acute toxicity
No data available
Skin corrosion/irritation
No data available
Serious eye damage/eye irritation
No data available
Respiratory or skin sensitisation
No data available
Germ cell mutagenicity
No data available
Carcinogenicity
IARC: No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
No data available
Specific target organ toxicity - single exposure
No data available
Specific target organ toxicity - repeated exposure
No data available
Aspiration hazard
No data available
Additional Information
RTECS: Not available
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.

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SECTION 12: Ecological information
Toxicity
No data available
Persistence and degradability
No data available
Bioaccumulative potential
No data available
Mobility in soil
No data available
Results of PBT and vPvB assessment
This substance/mixture contains no components considered to be either persistent, bioaccumulative and
toxic (PBT), or very persistent and very bioaccumulative (vPvB) at levels of 0.1% or higher.
Other adverse effects
No data available

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SECTION 13: Disposal considerations
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company.
Contaminated packaging
Dispose of as unused product.

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SECTION 14: Transport information
UN number
ADR/RID: - IMDG: - IATA: -
UN proper shipping name
ADR/RID: Not dangerous goods
IMDG: Not dangerous goods
IATA: Not dangerous goods
Transport hazard class(es)
ADR/RID: - IMDG: - IATA: -
Packaging group
ADR/RID: - IMDG: - IATA: -
Environmental hazards
ADR/RID: no IMDG Marine pollutant: no IATA: no
Special precautions for user
No data available

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SECTION 15: Regulatory information
This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
Safety, health and environmental regulations/legislation specific for the substance or mixture
No data available
Chemical Safety Assessment

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  4-(叔丁氧基羰基)苯基硼酸频哪醇酯 在 对甲苯磺酸 、 N,N'-羰基二咪唑 作用下， 以 甲醇 、 乙酸乙酯 、 乙腈 为溶剂， 反应 62.5h， 生成 4-(4-(1-isopropyl-7-oxo-1,4,6,7-tetrahydrospiro[indazole-5,4'-piperidine]-1'-carbonyl)-6-methoxypyridin-2-yl)benzoic acid
  参考文献：
  名称：

  [EN] COMBINATIONS FOR TREATMENT OF NAFLD/NASH AND RELATED DISEASES
  [FR] ASSOCIATIONS DESTINÉES AU TRAITEMENT DE LA NAFLD/NASH ET DE MALADIES ASSOCIÉES

  摘要：

  使用含有约25毫克至约1200毫克(S)-2-(5-((3-乙氧基吡啶-2-基)氧基)吡啶-3-基)-N-(四氢呋喃-3-基)嘧啶-5-羧酰胺或其药学上可接受的盐的组合物，以及含有约5毫克至约40毫克4-(4-(1-异丙基-7-氧代-1,4,6,7-四氢螺[吲唑-5,4'-哌啶]-1'-羰基)-6-甲氧基吡啶-2-基)苯甲酸或其药学上可接受的盐的方法，用于治疗脂肪肝病及相关疾病或紊乱。

  公开号：

  WO2021171164A1
• 作为产物：
  描述：

  4-溴苯甲酸 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 氯化亚砜 、 potassium acetate 、 N,N-二甲基甲酰胺 作用下， 以 四氢呋喃 、 1,4-二氧六环 为溶剂， 反应 1.0h， 生成 4-(叔丁氧基羰基)苯基硼酸频哪醇酯
  参考文献：
  名称：

  Ni(II) 与 Si(111)-PNP 结构结合用于光电化学析氢反应的非催化优势：金属离子诱导的平带电位调制

  摘要：

  我们在这里报告了 Ni(II) 离子与 Si|PNP 型表面结合的显着和非催化有益效果，这是由配体附着和 Ni(II) 结合引起的显着热力学带弯曲的结果。我们通过合成一种特殊的双 PNP 大螯合物使 Ni(II) 一步结合到 p-Si(111) 底物上，明确地从动力学起始电位 (Von) 中解卷积热力学平带电位 (VFB)。XPS 分析和严格的控制实验证实了设计的配体及其产生的 Ni(II) 复合物的共价连接。催化条件下的光照 JV 测量表明，与本文中的其他底物相比，Si|BisPNP-Ni 底物表现出最积极的析氢反应 (HER) 起始电位（-0.55 V vs Fc/Fc+）。黑暗中的热力学平带电位测量表明，Si|BisPNP-Ni 也表现出最正的 VFB 值（-0.02 V vs Fc/Fc+），幅度很大。在光照、催化条件下生成的电化学阻抗谱数据表明，Von 与通常与 HER 相关的等

  DOI：

  10.1021/jacs.9b12824

文献信息

• RorgammaT inhibitors
  申请人：MSD Oss B.V.

  公开号：EP2487159A1

  公开（公告）日：2012-08-15

  The present invention relates to compounds according to general Formula I or a pharmaceutically acceptable salt thereof. Such compounds can be used in the treatment of RORgammaT-mediated diseases or conditions.

  本发明涉及符合一般式I的化合物 或其药用可接受的盐。这些化合物可用于治疗RORgammaT介导的疾病或症状。
• [EN] INDOLE DERIVATIVES AND USES THEREOF<br/>[FR] DÉRIVÉS DE D'INDOLE ET LEURS UTILISATIONS
  申请人：NOVARTIS AG

  公开号：WO2019021059A1

  公开（公告）日：2019-01-31

  The present disclosure provides a compound of formula (I): or a pharmaceutically acceptable salt thereof, and its therapeutic uses for activating a growth factor pathway, promoting wound healing, promoting tissue repair, and treating hearing loss, skeletal muscle loss, organ degeneration, tissue damage, neurodegeneration, and muscular atrophy. The disclosure further provides pharmaceutical compositions and combinations. The present disclosure also relates to the use of such compounds for research or other non- therapeutic purposes.

  本公开提供了一种公式(I)的化合物：或其药用可接受的盐，及其用于激活生长因子途径、促进伤口愈合、促进组织修复以及治疗听力损失、骨骼肌损失、器官退化、组织损伤、神经退行性和肌肉萎缩的治疗用途。本公开还提供了药物组合物和组合物。本公开还涉及将此类化合物用于研究或其他非治疗目的。
• DIPHENYL DERIVATIVES AND USES THEREOF
  申请人：NOVARTIS AG

  公开号：US20190077773A1

  公开（公告）日：2019-03-14

  The present disclosure provides a compound of formula (I): or a pharmaceutically acceptable salt thereof, and its therapeutic uses for activating a growth factor pathway, promoting wound healing, promoting tissue repair, and treating hearing loss, skeletal muscle loss, organ degeneration, tissue damage, neurodegeneration, and muscular atrophy. The disclosure further provides pharmaceutical compositions and combinations. The present disclosure also relates to the use of such compounds for research or other non-therapeutic purposes.

  本公开提供了一种公式(I)的化合物： 或其药用可接受的盐，以及其用于激活生长因子途径、促进伤口愈合、促进组织修复以及治疗听力损失、骨骼肌损失、器官退化、组织损伤、神经退化和肌肉萎缩的治疗用途。本公开还提供了药物组合物和组合物。本公开还涉及将此类化合物用于研究或其他非治疗目的。
• [EN] BETUIN DERIVATIVES FOR PREVENTING OR TREATING HIV INFECTIONS<br/>[FR] DÉRIVÉS DE BÉTUINE PERMETTANT DE PRÉVENIR OU DE TRAITER DES INFECTIONS À VIH
  申请人：GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO 2) LTD

  公开号：WO2017017607A1

  公开（公告）日：2017-02-02

  The present invention relates to compounds characterized by having a structure according to the following Formula (I), or a pharmaceutically acceptable salt thereof. Compounds of the present invention are useful for the treatment or prevention of HIV.

  本发明涉及具有如下式(I)结构的化合物，或其药用可接受盐。本发明的化合物用于治疗或预防HIV。
• Modulators of methyl modifying enzymes, compositions and uses thereof
  申请人：Constellation Pharmaceuticals, Inc.

  公开号：US09206128B2

  公开（公告）日：2015-12-08

  Agents for modulating methyl modifying enzymes, compositions and uses thereof are provided herein.

  这里提供了调节甲基修饰酶的药剂、组合物及其用途。