1-溴-2-(二甲氧基甲基)-4,5-二甲氧基苯 | 70461-33-5

• 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: 1-溴-2-(二甲氧基甲基)-4,5-二甲氧基苯
• 英文名称: 2-bromo-4,5-dimethoxybenzaldehyde dimethyl acetal
• 英文别名: 1-bromo-2-(dimethoxymethyl)-4,5-dimethoxybenzene
• CAS: 70461-33-5
• 化学式: C₁₁H₁₅BrO₄
• 分子量: 291.142
• InChiKey: QVUVEEKONLXEOI-UHFFFAOYSA-N

物化性质

• 沸点：
  305.8±42.0 °C(Predicted)
• 密度：
  1.345±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  36.9
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2909309090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 1-Bromo-2-(dimethoxymethyl)-4,5-dimethoxybenzene
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: 1-Bromo-2-(dimethoxymethyl)-4,5-dimethoxybenzene
CAS number: 70461-33-5

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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.
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: C11H15BrO4
Molecular weight: 291.1

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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, hydrogen bromide.

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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：

  1-溴-2-(二甲氧基甲基)-4,5-二甲氧基苯 在 正丁基锂 、 碘 、 溶剂黄146 作用下， 以 四氢呋喃 、 乙酸乙酯 为溶剂， 生成 2-碘-4,5-二甲氧基苯甲醛
  参考文献：
  名称：

  Biphenyl derivatives, process for preparing the same and intermediates

  摘要：

  新型联苯衍生物的化学式如下：其中R.sup.1是取代或未取代的氨基羰基、氨基硫羰基、取代或未取代的低烷氧羰基、氰基，或化学式为的基团：##STR1## R.sup.2到R.sup.7中的一个或两个是氢原子，其余基团相同或不同，分别是低烷氧基、苯基(低)烷氧基或羟基，或相邻的两个基团结合形成低烷二氧基基团，Alk.sup.1是低烷基基团，或其药用可接受盐，用于预防和治疗肝病，以及制备方法和中间体。

  公开号：

  US05103023A1
• 作为产物：
  描述：

  6-溴藜芦醛 在 原甲酸三甲酯 作用下， 以 甲醇 为溶剂， 生成 1-溴-2-(二甲氧基甲基)-4,5-二甲氧基苯
  参考文献：
  名称：

  Naphthalene derivatives, process for the preparation thereof, and

  摘要：

  萘衍生物的化学式[I]：其中R.sup.1和R.sup.2相同或不同，分别为H、保护或未保护的OH，R.sup.3和R.sup.4中的一个为保护或未保护的羟甲基，另一个为H、低碳烷基，或保护或未保护的羟甲基，R.sup.5和R.sup.6相同或不同，分别为H、取代或未取代的低碳烷基、取代或未取代的苯基或保护或未保护的NH.sub.2，或者两者与相邻的N结合形成取代或未取代的杂环基，以及其药学上可接受的盐，这些化合物表现出优异的支气管收缩抑制活性，因此在哮喘的预防或治疗中具有用处。

  公开号：

  US05969140A1

文献信息

• A Convenient Synthesis of 1-Alkoxy-2-alkyl-1,2-dihydroisoquinoline-3,4-diones Utilizing the Reaction of 2-(Dialkoxymethyl)phenyllithiums with Dimethyl Oxalate
  作者：Kazuhiro Kobayashi、Yuuya Honda、Minami Kuroda

  DOI：10.1002/hlca.201500254

  日期：2016.2

  for the preparation of 1,2‐dihydroisoquinoline‐3,4‐diones with alkoxy and alkyl groups at the 4‐ and 3‐positions, respectively, using an easily operated three‐step sequence starting from 2‐(dialkoxymethyl)phenyl bromides has been developed. Thus, the starting materials are treated with BuLi to generate 2‐(dialkoxymethyl)phenyllithiums, which are allowed to react with (COOMe)2 to give methyl 2‐(dialk

  一种新的便捷方法，可使用易于操作的从2-（二烷氧基甲基）开始的三步顺序制备分别在4和3位具有烷氧基和烷基的1,2-二氢异喹啉3,4-二酮）溴化苯已被开发出来。因此，原材料用BuLi处理生成2-（二烷氧基甲基）苯基锂，然后使其与（COOMe）2反应，生成2-（二烷氧基甲基）苯基-2-氧代乙酸甲酯。然后通过与伯胺反应将其转化为相应的仲酰胺。用催化量的TsOH·H 2处理这些酮酰胺O提供所需的产品。为了证明这些产品的合成效用，通过用PCC氧化将其中一种转化为相应的异喹啉-1,3,4（2 H）-三酮衍生物。
• Synthesis of 1,3-Dihydro-3-oxo-2-benzofuran-1-carboxylates<i>via</i>Intramolecular Cyclization of 2-[2-(Dimethoxymethyl)phenyl]- 2-hydroxyalkanoates Followed by Oxidation
  作者：Kazuhiro Kobayashi、Minami Kuroda、Yuuho Shigemura

  DOI：10.1002/hlca.201500175

  日期：2015.10

  3‐dihydro‐3‐oxo‐2‐benzofuran‐1‐carboxylates 4 under mild conditions has been developed. Thus, the reaction of [2‐(dimethoxymethyl)phenyl]lithiums, generated easily from 1‐bromo‐2‐(dimethoxymethyl)benzenes 1, with α‐keto esters gives the corresponding 2‐[2‐(dimethoxymethyl)phenyl]‐2‐hydroxyalkanoates 2. The TsOH‐catalyzed cyclization of these hydroxy acetals is followed by the oxidation of the resulting cyclic

  开发了一种在温和条件下制备1,3-二氢-3-氧代-2-苯并呋喃-1-羧酸盐4的新颖有效的方法。因此，由1-溴-2-（二甲氧基甲基）苯1容易产生的[2-（二甲氧基甲基）苯基]锂与α-酮酸酯的反应产生了相应的2- [2-（二甲氧基甲基）苯基] -2 ‐羟基烷酸酯2。这些羟基缩醛的TsOH催化环化之后，用PCC氧化所得的环状缩醛3，以令人满意的产率得到所需的产物。[2-（二甲氧基甲基）-4,5-二甲氧基苯基]锂与（MeOCO）2的反应，然后用NaBH 4处理或有机锂，可得到2- [2-（二甲氧基甲基）-4,5-二甲氧基苯基] -2-羟基烷酸酯6，它们可以类似地转化为相应的1,3-二氢-3-氧代-2-苯并呋喃-1-羧酸酯7产量合理。
• Fused Catechol Ethers from Gold(I)-Catalyzed Intramolecular Reaction of Propargyl Ethers with Acetals
  作者：Kamalkishore Pati、Gabriel dos Passos Gomes、Trevor Harris、Igor V. Alabugin

  DOI：10.1021/acs.orglett.5b03522

  日期：2016.3.4

  Selective gold(I)-catalyzed rearrangement of aromatic methoxypropynyl acetals leads to fused catechol ethers (1,2-dialkoxynapthalenes) in excellent yields. Furthermore, this process extends to the analogous heterocyclic and aliphatic substrates. Alkyne activation triggers nucleophilic addition of the acetal oxygen that leads to an equilibrating mixture of oxonium ions of similar stability. This mixture

  选择性金（I）催化芳族甲氧基丙炔基乙缩醛的重排可以以极好的收率得到稠合的邻苯二酚醚（1,2-二烷氧基萘）。此外，该方法扩展到类似的杂环和脂族底物。炔烃活化触发乙缩醛氧的亲核加成，从而导致具有相似稳定性的平衡的氧鎓离子混合物。该混合物通过高度放热的环化反应“动力学自分选”。1,2-二烷氧基萘的选择性形成源自环状中间体通过甲醇的1,4-消除的化学选择性芳构化。
• Pyridine derivatives
  申请人：Tanabe Seiyaku Co., Ltd.

  公开号：US05965730A1

  公开（公告）日：1999-10-12

  A pyridine derivative of the formula (I): ##STR1## wherein A is group of the following formulae: ##STR2## (R.sup.1 and R.sup.2 are each H, or protected or unprotected OH, R.sup.31, R.sup.41 and R.sup.42 are protected or unprotected hydroxymethyl, R.sup.32 is H, lower alkyl, or protected or unprotected hydroxymethyl, R.sup.33 is substituted or unsubstituted lower alkyl, and the dotted line means the presence or absence of a double bond), R.sup.5 and R.sup.6 are H, or protected or unprotected amino, or both combine together with the adjacent nitrogen to form substituted or unsubstituted heterocycle, or a pharmaceutically acceptable salt thereof, these compounds showing excellent bronchoconstriction inhibitory activity and/or anti-inflammatory activity of airway, and being useful in the prophylaxis or treatment of asthma.

  化合物的化学式（I）的吡啶衍生物：其中A是以下化学式的基团：（R.sup.1和R.sup.2分别为H，或受保护或未受保护的OH，R.sup.31、R.sup.41和R.sup.42为受保护或未受保护的羟甲基，R.sup.32为H，较低的烷基，或受保护或未受保护的羟甲基，R.sup.33为取代或未取代的较低烷基，虚线表示双键的存在或不存在），R.sup.5和R.sup.6为H，或受保护或未受保护的氨基，或两者结合在一起与相邻的氮形成取代或未取代的杂环，或其药学上可接受的盐，这些化合物表现出出色的支气管收缩抑制活性和/或气道抗炎活性，并且在哮喘的预防或治疗中有用。
• Sustainable Passerini-tetrazole three component reaction (PT-3CR): selective synthesis of oxaborol-tetrazoles
  作者：Akansha Singh、Ravindra Kumar

  DOI：10.1039/d1cc03256a

  日期：——

  solvent-free Passerini-tetrazole three component reaction (PT-3CR) has been developed for the selective synthesis of benzoxaborol-tetrazoles for the first time. The synthetic potential of oxaboroles was demonstrated towards various functionalized tetrazoles, which are otherwise difficult to achieve through conventional PT-3CR from aromatic aldehydes/ketones. The reaction features high practicality, broad

  首次开发了一种可持续的无催化剂和无溶剂 Passerini-四唑三组分反应 (PT-3CR)，用于选择性合成苯并恶硼醇-四唑。oxaboroles 的合成潜力在各种官能化四唑方面得到了证明，否则很难通过传统的 PT-3CR 从芳香醛/酮中实现。该反应具有实用性高、底物范围广、产率高（80-98%）等特点。不对称 PT-3CR 的初步结果也显示为手性苯并氧杂硼的合成。