3-(1-甲基乙氧基)-苯甲醛 | 75792-33-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 3-(1-甲基乙氧基)-苯甲醛
• 英文名称: 3-isopropoxybenzaldehyde
• 英文别名: 3-iso-propyloxybenzaldehyde；3-propan-2-yloxybenzaldehyde
• CAS: 75792-33-5
• 化学式: C₁₀H₁₂O₂
• mdl: MFCD01922005
• 分子量: 164.204
• InChiKey: NOBKCEXLDDGYID-UHFFFAOYSA-N

物化性质

• 沸点：
  110-113 °C(Press: 2 Torr)
• 密度：
  1.036±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 海关编码：
  2912499000
• 危险性防范说明：
  P261,P272,P280,P302+P352,P333+P313,P363,P501
• 危险性描述：
  H317
• 储存条件：
  2-8℃

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 3-Isopropoxybenzaldehyde
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: 3-Isopropoxybenzaldehyde
CAS number: 75792-33-5

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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.
Storage: Store in closed vessels, refrigerated.

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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
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C10H12O2
Molecular weight: 164.2

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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：

  3-(1-甲基乙氧基)-苯甲醛 在 溴 作用下， 以 二氯甲烷 为溶剂， 以90%的产率得到2-溴-5-异丙基苯甲醛
  参考文献：
  名称：

  通过分子内 SNAr 反应全合成 Plagiochin D

  摘要：

  plagiochin D 是一种大环双（联苄基）化合物，它是从地草 plagiochila acanthophylla 中分离出来的，已完成全合成。通过分子内 SNAr 反应以良好的收率实现了包含联苯醚和联芳基单元的关键 16 元环的闭合。Suzuki 和 Wittig 方案被证明是构建线性前体的有力工具，该前体对环环化至关重要。

  DOI：

  10.1002/ejoc.201001412
• 作为产物：
  描述：

  3-溴苯基异丙醚 在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 、 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 以100%的产率得到3-(1-甲基乙氧基)-苯甲醛
  参考文献：
  名称：

  Ukokinase inhibitors

  摘要：

  具有该化学式的化合物是尿激酶的抑制剂，对于尿激酶在某些疾病治疗中起作用是有用的。还公开了抑制尿激酶的组合物和在哺乳动物中抑制尿激酶的方法。

  公开号：

  US06284796B1

文献信息

• Substituted N, N-disubstituted diamino compounds useful for inhibiting cholesteryl ester transfer protein activity
  申请人：——

  公开号：US20020120011A1

  公开（公告）日：2002-08-29

  The invention relates to substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamine compounds useful as inhibitors of cholesteryl ester transfer protein (CETP; plasma lipid transfer protein-I) and compounds, compositions and methods for treating atherosclerosis and other coronary artery diseases. Preferred tertiary-heteroalkylamine compounds are substituted N,N-disubstituted diamines. A preferred specific N,N-disubstituted diamine is the compound: 1

  这项发明涉及替代多环芳基和杂环芳基的三级杂烷基胺化合物，可用作胆固醇酯转移蛋白（CETP；血浆脂质转移蛋白-I）的抑制剂，以及用于治疗动脉粥样硬化和其他冠状动脉疾病的化合物、组合物和方法。首选的三级杂烷基胺化合物是取代的N,N-二取代二胺。首选的具体N,N-二取代二胺化合物是：1
• DIAMINOPROPANE DERIVED MACROCYCLES AS INHIBITORS OF BETA AMYLOID PRODUCTION
  申请人：Marcin Lawrence R.

  公开号：US20080194535A1

  公开（公告）日：2008-08-14

  There is provided a series of macrocyclic diaminopropanes of Formula (I) or a stereoisomer; or a pharmaceutically acceptable salt thereof, wherein R 1 , R 2 , R 3 , m, n, W, X, Y, Z and L as defined herein, their pharmaceutical compositions and methods of use. These novel compounds inhibit the processing of amyloid precursor protein (APP) by β-secretase and, more specifically, inhibit the production of Aβ-peptide. The present disclosure is directed to compounds useful in the treatment of neurological disorders related to β-amyloid production, such as Alzheimer's disease and other conditions affected by anti-amyloid activity.

  提供一系列宏环脂肪二胺丙烷化合物的化学式（I）或其立体异构体；或其药用盐， 其中R1，R2，R3，m，n，W，X，Y，Z和L如本文所定义，它们的药物组合物和使用方法。这些新化合物抑制β-分泌酶对淀粉样前体蛋白（APP）的加工，更具体地说，抑制Aβ-肽的产生。本公开涉及对治疗与β-淀粉样蛋白产生相关的神经系统疾病的化合物，如阿尔茨海默病和其他受抗淀粉样活性影响的疾病。
• METHOD FOR PROMOTING PLANT GROWTH
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：US20150282482A1

  公开（公告）日：2015-10-08

  The present invention provides a method for promoting plant growth, which comprises treating a plant with a compound represented by the following Formula (1): provided that a method for promoting plant growth which comprises treating plants with a compound corresponding to any one of the following (1) to (8) is excluded: (1) Methyl 4-(trifluoromethyl)benzo[b]thiophene-2-carboxylate, (2) Methyl 5-(trifluoromethyl)benzo[b]thiophene-2-carboxylate, (3) Methyl 6-(trifluoromethyl)benzo[b]thiophene-2-carboxylate, (4) Methyl 7-(trifluoromethyl)benzo[b]thiophene-2-carboxylate, (5) Ethyl 4-(trifluoromethyl)benzo[b]thiophene-2-carboxylate, (6) Ethyl 5-(trifluoromethyl)benzo[b]thiophene-2-carboxylate, (7) Ethyl 6-(trifluoromethyl)benzo[b]thiophene-2-carboxylate, and (8) Ethyl 7-(trifluoromethyl)benzo[b]thiophene-2-carboxylate.

  本发明提供了一种促进植物生长的方法，包括用下式表示的化合物处理植物： 只要排除用与以下任一化合物相对应的化合物处理植物的促进植物生长方法：(1) 甲基4-(三氟甲基)苯并[b]噻吩-2-羧酸酯，(2) 甲基5-(三氟甲基)苯并[b]噻吩-2-羧酸酯，(3) 甲基6-(三氟甲基)苯并[b]噻吩-2-羧酸酯，(4) 甲基7-(三氟甲基)苯并[b]噻吩-2-羧酸酯，(5) 乙基4-(三氟甲基)苯并[b]噻吩-2-羧酸酯，(6) 乙基5-(三氟甲基)苯并[b]噻吩-2-羧酸酯，(7) 乙基6-(三氟甲基)苯并[b]噻吩-2-羧酸酯，以及(8) 乙基7-(三氟甲基)苯并[b]噻吩-2-羧酸酯。
• [EN] 1-(6 MEMBERS AZO-HETEROCYCLIC)-PYRROLIN-2-ONE COMPOUNDS AS INHIBITORS OF HEPATITIS C NS5B POLYMERASE, THE PHARMACEUTICAL COMPOSITION THEREOF AND THEIR THERAPEUTIC USE<br/>[FR] COMPOSÉS 1-(AZO-HÉTÉROCYCLE À 6 CHAÎNONS)-PYRROLIN-2-ONE COMME INHIBITEURS DE POLYMÉRASE NS5B D'HÉPATITE C, LEUR COMPOSITION PHARMACEUTIQUE ET LEUR UTILISATION THÉRAPEUTIQUE
  申请人：VIVALIS

  公开号：WO2011004017A1

  公开（公告）日：2011-01-13

  The present invention concerns a l-(6 members azo-heterocyclic)-pyrrolin-2-one compound of the following formula I or a salt, solvate, tautomer, isotope, enantiomer, diastereoisomer or racemic mixture thereof: the pharmaceutical composition thereof and their therapeutic use as inhibitors of Hepatitis C NS5B polymerase.

  本发明涉及以下式I的l-(6成员偶氮杂环)-吡咯烷-2-酮化合物或其盐、溶剂合物、互变异构体、同位素、对映体、非对映异构体或其外消旋混合物：以及其药物组合物及作为丙型肝炎NS5B聚合酶抑制剂的治疗用途。
• Copper-mediated cyanation of indoles and electron-rich arenes using DMF as a single surrogate
  作者：Lianpeng Zhang、Ping Lu、Yanguang Wang

  DOI：10.1039/c5ob01244a

  日期：——

  The copper-mediated cyanation of indoles with DMF as a single surrogate of “CN” has been realized.

  吲哚的铜介导氰化反应中，使用DMF作为“CN”的单一替代试剂已经实现。