3-溴噻吩-5-硼酸 | 499769-92-5

• 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 - 有机卤素化合物 - 芳基卤化物
• 中文名称: 3-溴噻吩-5-硼酸
• 英文名称: (4-bromothiophen-2-yl)boronic acid
• CAS: 499769-92-5
• 化学式: C₄H₄BBrO₂S
• mdl: MFCD03094994
• 分子量: 206.856
• InChiKey: JNBQQYFWHGVOBY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.03
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  68.7
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xi
• 危险类别码：
  R36/37/38
• 安全说明：
  S26,S37/39
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

SDS

Name:	4-Bromo-2-thienylboronic acid 97% Material Safety Data Sheet
Synonym:
CAS:	499769-92-5

Section 1 - Chemical Product MSDS Name:4-Bromo-2-thienylboronic acid 97% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
499769-92-5	4-Bromo-2-thienylboronic acid	97%	unlisted

Hazard Symbols: XI
Risk Phrases: 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

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Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Treat symptomatically and supportively.

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Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.

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Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Keep refrigerated. (Store below 4C/39F.) Store in a tightly closed container. Store in a dry area.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 499769-92-5: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 126.6 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C4H4BBrO2S
Molecular Weight: 206.86

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of sulfur, carbon dioxide, hydrogen bromide, oxides of boron, bromine.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 499769-92-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-Bromo-2-thienylboronic acid - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
No information available.
IMO
No information available.
RID/ADR
No information available.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 499769-92-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 499769-92-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 499769-92-5 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  3-溴噻吩-5-硼酸 在 potassium hydrogen difluoride 作用下， 以 甲醇 、 水 为溶剂， 反应 1.5h， 以8.2 g的产率得到potassium (4-bromothiophen-2-yl)trifluoroboranuide
  参考文献：
  名称：

  通过2-噻吩基三氟硼酸盐的氧化和醚化制备溴化2-烷氧基噻吩

  摘要：

  据报道，环溴化长链2-烷氧基噻吩的合成涉及容易制备的2-噻吩基三氟硼酸盐的温和（Oxone）氧化，然后进行Mitsunobu醚化。两种方法在操作上都很简单，并且使用廉价的试剂。使用这种方法，制备了几种新颖的具有以前难以捉摸的取代方式的单溴和二溴辛基氧基噻吩。一种这样的化合物被修饰为新型的5-烷氧基噻吩并[3,2- b ]噻吩-2-羧酸酯，这标志着该化合物家族的首次合成。

  DOI：

  10.1021/ol3022897
• 作为产物：
  描述：

  2,4-二溴噻吩 在 正丁基锂 、 乙醚 作用下， 生成 3-溴噻吩-5-硼酸
  参考文献：
  名称：

  Lawesson, Arkiv foer Kemi, 1957, vol. 11, p. 373,379, 380

  摘要：

  DOI：

文献信息

• [EN] ANTIBACTERIAL PYRROLOIMIDAZOLONES<br/>[FR] PYRROLOIMIDAZOLONES ANTIBACTÉRIENNES
  申请人：IDORSIA PHARMACEUTICALS LTD

  公开号：WO2019038362A1

  公开（公告）日：2019-02-28

  The invention relates to compounds of formula (I)wherein M represents a 5-membered heterocyclic aromatic ring and A is defined in the description. Further, the use of said compounds as antibacterial agents, especially against Gram-negative microorganismsn as well as methods for manufacturing said compounds are disclosed.

  这项发明涉及式(I)的化合物，其中M代表一个5-成员杂环芳香环，A在描述中有定义。此外，还披露了将这些化合物用作抗菌剂，特别是针对革兰氏阴性微生物，以及制造这些化合物的方法。
• [EN] SREBP INHIBITORS COMPRISING A THIOPHENE CENTRAL RING<br/>[FR] INHIBITEURS DE SREBP COMPRENANT UN ANNEAU CENTRAL DE THIOPHÈNE
  申请人：CAPULUS THERAPEUTICS LLC

  公开号：WO2022020738A1

  公开（公告）日：2022-01-27

  Provided herein are compounds comprising a three-ring core and pharmaceutically acceptable salts, solvates, tautomers, isotopes, or isomers thereof. Also provided herein are methods of inhibiting a component of the sterol regulatory element binding protein (SREBP) pathway, such as an SREBP or SREBP cleavage activating protein (SCAP), using these compounds, or pharmaceutically acceptable salts, solvates, tautomers, isotopes, or isomers thereof. Further provided are methods of treating a disorder in a subject in need thereof, such as liver disease, non-alcoholic steatohepatitis, insulin resistance, or cancer.

  本文提供了包含三环核心和药用可接受盐、溶剂合物、互变体、同位素或异构体的化合物。本文还提供了使用这些化合物或药用可接受盐、溶剂合物、互变体、同位素或异构体来抑制类固醇调节元件结合蛋白（SREBP）途径的组分的方法，如SREBP或SREBP裂解活化蛋白（SCAP）。此外，还提供了治疗需要的受试者的疾病的方法，如肝病、非酒精性脂肪肝病、胰岛素抵抗或癌症。
• [EN] SREBP INHIBITORS COMPRISING A THIOPHENE CENTRAL RING<br/>[FR] INHIBITEURS DE SREBP COMPRENANT UN NOYAU CENTRAL DE THIOPHÈNE
  申请人：CAPULUS THERAPEUTICS LLC

  公开号：WO2021154735A1

  公开（公告）日：2021-08-05

  Provided herein are compounds comprising a three-ring core and pharmaceutically acceptable salts, solvates, tautomers, isotopes, or isomers thereof. Also provided herein are methods of inhibiting a component of the sterol regulatory element binding protein (SREBP) pathway, such as an SREBP or SREBP cleavage activating protein (SCAP), using these compounds, or pharmaceutically acceptable salts, solvates, tautomers, isotopes, or isomers thereof. Further provided are methods of treating a disorder in a subject in need thereof, such as liver disease, non-alcoholic steatohepatitis, insulin resistance, or cancer.

  本文提供了一种包含三环核心和药学上可接受的盐、溶剂、互变异构体、同位素或异构体的化合物。本文还提供了使用这些化合物或药学上可接受的盐、溶剂、互变异构体、同位素或异构体来抑制甾体调节元件结合蛋白（SREBP）途径组分的方法，例如SREBP或SREBP裂解激活蛋白（SCAP）。此外，还提供了治疗需要的主题的一种疾病的方法，例如肝病、非酒精性脂肪性肝炎、胰岛素抵抗或癌症。
• [EN] PROTEIN STABILIZING COMPOUNDS CONTAINING USP28 AND/OR USP25 TARGETING LIGANDS<br/>[FR] COMPOSÉS DE STABILISATION DE PROTÉINES CONTENANT DES LIGANDS CIBLANT USP28 ET/OU USP25
  申请人：STABLIX INC

  公开号：WO2023122298A1

  公开（公告）日：2023-06-29

  This invention provides protein stabilizing compounds that have a USP28 Targeting Ligand or USP25 Targeting Ligand, a Protein Targeting Ligand, and optionally a Linker, wherein the Target Protein is ubiquitinated. The protein stabilizing compounds of the present invention can be used to deubiquitinate the Ubiquitinated Target Protein and thus increase the concentration and/or function of the Target Protein.

  本发明提供的蛋白质稳定化合物具有 USP28 靶向配体或 USP25 靶向配体、蛋白质靶向配体和可选的连接体，其中靶蛋白被泛素化。本发明的蛋白质稳定化合物可用于泛素化目标蛋白的去泛素化，从而提高目标蛋白的浓度和/或功能。
• [EN] SREBP INHIBITORS COMPRISING A THIOPHENE CENTRAL RING<br/>[FR] INHIBITEURS DE SREBP COMPRENANT UN NOYAU CENTRAL DE TIOPHÈNE
  申请人：CAPULUS THERAPEUTICS LLC

  公开号：WO2020159889A9

  公开（公告）日：2020-10-01