4-(甲氧基甲氧基)苯硼酸 | 162662-27-3

• 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 - 苯酚醚
• 中文名称: 4-(甲氧基甲氧基)苯硼酸
• 中文别名: 4-(甲氧基甲基)苯硼酸
• 英文名称: 4-(methoxymethoxy)phenylboronic acid
• 英文别名: 4-(methoxymethyl)oxyphenylboronic acid；[4-(methoxymethoxy)phenyl]boronic acid
• CAS: 162662-27-3
• 化学式: C₈H₁₁BO₄
• 分子量: 181.984
• InChiKey: MERYVSUVKVVJMP-UHFFFAOYSA-N

物化性质

• 沸点：
  346.3±52.0 °C(Predicted)
• 密度：
  1.19

计算性质

• 辛醇/水分配系数(LogP)：
  -0.65
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  58.9
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S39
• 危险类别码：
  R22,R41
• 危险性防范说明：
  P233,P260,P261,P264,P271,P280,P302+P352,P304,P304+P340,P305+P351+P338,P312,P321,P332+P313,P337+P313,P340,P362,P403,P403+P233,P405,P501
• 危险性描述：
  H315,H319,H335
• 储存条件：
  室温

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-(Methoxymethoxy)phenylboronic 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-(Methoxymethoxy)phenylboronic acid
CAS number: 162662-27-3

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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: C8H11BO4
Molecular weight: 182.0

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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-(甲氧基甲氧基)苯硼酸 在 四(三苯基膦)钯 盐酸 、 ammonium cerium(IV) nitrate 、 sodium carbonate 作用下， 以 甲苯 、 乙腈 为溶剂， 生成 2-(4-hydroxyphenyl)[1,4]naphthoquinone
  参考文献：
  名称：

  Confalone, Pat. N., Journal of Heterocyclic Chemistry, 1990, vol. 27, # 1, p. 31 - 46

  摘要：

  DOI：
• 作为产物：
  描述：

  1-碘-4-(甲氧基甲氧基)苯 在 正丁基锂 、 硼酸三异丙酯 、 水 、 氯化铵 作用下， 以 四氢呋喃 、 乙醚 、 正己烷 为溶剂， 反应 2.0h， 以85%的产率得到4-(甲氧基甲氧基)苯硼酸
  参考文献：
  名称：

  吡喃异黄酮Kraussianone 1及其相关异黄酮的全合成

  摘要：

  描述了吡喃异黄酮kraussianone 1（1）的第一个全合成。关键步骤涉及Suzuki-Miyaura反应，用于构建异黄酮核心以及二甲基吡喃骨架骨架选择性形成kraussianone 1（1）的间苯三酚（A环）和间苯二酚（B环）部分的区域。该途径还提供了通过简单的结构修饰获得相关异黄酮eriosemaone D（2）和染料木黄酮（3）的途径。

  DOI：

  10.1021/np100407n
• 作为试剂：
  描述：

  3-iodo-5,7-bis(methoxymethoxy)-4H-chromen-4-one 、 4-(甲氧基甲氧基)苯硼酸 在 4-(甲氧基甲氧基)苯硼酸 作用下， 生成 5,7,4'-trimethoxymethoxyisoflavone
  参考文献：
  名称：

  J. Nat. Prod. 2010, 73, 1680-1685

  摘要：

  DOI：

文献信息

• 중합성 화합물, 중합성 조성물 및 액정 표시 소자
  申请人：JNC CORPORATION 제이엔씨 주식회사(520110081135)

  公开号：KR20160002826A

  公开（公告）日：2016-01-08

  높은 중합 반응성, 높은 전화율(轉化率) 및 액정 조성물에 대한 높은 용해도를 가지는 중합성 화합물, 이 화합물을 포함하는 중합성 조성물, 이 조성물로부터 조제한 액정 복합체, 이 복합체를 가지는 액정 표시 소자를 제공한다. 적어도 2개의 중합성기를 가지고, 적어도 1개의 중합성기가 아크릴로일옥시 또는 메타크릴로일옥시이며, 적어도 1개의 나머지 중합성기가, 하기 식(P-1), 식(P-2), 및 식(P-3)으로 표시되는 기의 군으로부터 선택된 중합성기인 중합성 화합물이다. 상기 식(P-1)∼식(P-3)에 있어서, 예를 들면, R∼R은 독립적으로, 수소, 불소, 메틸, 에틸, 또는 트리플루오로메틸이다.

  高度共聚反应性，高转化率和对液晶成分具有高溶解度的共聚物，包括该共聚物的共聚物组合物，从该组合物制备的液晶复合物，以及具有该复合物的液晶显示器件。具有至少2个共聚基团，其中至少1个共聚基团为丙烯酰氧基或甲基丙烯酰氧基，而至少1个其他共聚基团是从以下式(P-1)，式(P-2)和式(P-3)所表示的基团群中选择的共聚物共聚基团。在上述式(P-1)到式(P-3)中，例如，R到R独立地表示氢，氟，甲基，乙基或三氟甲基。
• Modular Synthesis of Di- and Trisubstituted Imidazoles from Ketones and Aldehydes: A Route to Kinase Inhibitors
  作者：Ian de Toledo、Thiago A. Grigolo、James M. Bennett、Jonathan M. Elkins、Ronaldo A. Pilli

  DOI：10.1021/acs.joc.9b01844

  日期：2019.11.1

  A one-pot and modular approach to the synthesis of 2,4(5)-disubstituted imidazoles was developed based on ketone oxidation, employing catalytic HBr and DMSO, followed by imidazole condensation with aldehydes. This methodology afforded twenty-nine disubstituted NH-imidazoles (23%-85% yield). A three-step synthesis of 20 kinase inhibitors was achieved by employing this oxidation-condensation protocol

  基于酮氧化，采用催化HBr和DMSO，然后通过咪唑与醛的缩合反应，开发了一种单罐模块化方法，用于合成2,4（5）-二取代的咪唑。该方法提供了二十九个二取代的NH-咪唑（23％-85％的产率）。通过采用这种氧化-缩合方案，然后在咪唑环中进行溴化和Suzuki偶联，得到三取代的NH-咪唑（23％-69％，三步法），实现了三步合成20种激酶抑制剂的过程。该方法还用于合成已知抑制剂GSK3037619A。
• Enantioselective Total Synthesis of Natural Isoflavans: Asymmetric Transfer Hydrogenation/Deoxygenation of Isoflavanones with Dynamic Kinetic Resolution
  作者：Anton Keßberg、Tilo Lübken、Peter Metz

  DOI：10.1021/acs.orglett.8b01034

  日期：2018.5.18

  A concise and highly enantioselective synthesis of structurally diverse isoflavans from a single chromone is described. The key transformation is a single-step conversion of racemic isoflavanones into virtually enantiopure isoflavans by domino asymmetric transfer hydrogenation/deoxygenation with dynamic kinetic resolution.

  描述了从单一色酮的结构多样的异黄烷烃的简明且高度对映选择性的合成。关键的转变是通过具有动态动力学拆分的多米诺骨牌不对称转移加氢/脱氧反应，将外消旋异黄酮一步一步转化为对映体纯的异黄酮。
• Rhodium-Catalyzed Asymmetric Arylation of β,γ-Unsaturated α-Ketoamides for the Construction of Nonracemic γ,γ-Diarylcarbonyl Compounds
  作者：Juanjuan Wang、Min Wang、Peng Cao、Liyin Jiang、Guihua Chen、Jian Liao

  DOI：10.1002/anie.201403325

  日期：2014.6.23

  A highly regio‐ and enantioselective rhodium‐catalyzed 1,4‐addition of arylboronic acids to β,γ‐unsaturated α‐ketoamides using a simple new chiral sulfinylphosphine ligand is described. This transformation provides an attractive approach to construct chiral nonracemic γ,γ‐diarylsubstituted carbonyl compounds, as exemplified in the concise syntheses of sertraline and tetrahydroquinoline‐2‐carboxylamide

  本文描述了使用简单的新手性亚磺酰基膦配体将高区域和对映体选择性的铑催化的1,4-芳基硼酸加成到β，γ-不饱和α-酮酰胺上的方法。这种转化为构建手性非外消旋的γ，γ-二芳基取代的羰基化合物提供了一种有吸引力的方法，如舍曲林和四氢喹啉-2-羧酰胺的简明合成中所举例说明的那样。
• [EN] ERR INVERSE AGONISTS<br/>[FR] AGONISTES INVERSES D'ERR
  申请人：UNIV SAINT LOUIS

  公开号：WO2019036562A1

  公开（公告）日：2019-02-21

  In one aspect, the present disclosure describes new estrogen receptor-related orphan receptor (EER) inverse agonist compounds. Also described are pharmaceutical formulations, methods of synthesis and uses thereof.

  在一方面，本公开描述了新的雌激素受体相关孤儿受体（EER）反向激动剂化合物。还描述了药物制剂、合成方法及其用途。