2,3-二氢-1,4-苯并二氧甲醇 | 39270-39-8

• 物质功能分类: 有机原料 - 醇、酚、酚醇类化合物及衍生物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并二恶烷
• 中文名称: 2,3-二氢-1,4-苯并二氧甲醇
• 中文别名: 2,3-二氢-1，4-苯并二氧甲醇；苯并二氧六环-6-甲醇
• 英文名称: (2,3-dihydro-benzo[1,4]dioxin-6-yl)-methanol
• 英文别名: (2,3-dihydrobenzo[b][1,4]dioxin-6-yl)methanol；1,4-benzodioxane-6-methanol；2,3-Dihydro-1,4-benzodioxin-6-ylmethanol
• CAS: 39270-39-8
• 化学式: C₉H₁₀O₃
• mdl: MFCD01317581
• 分子量: 166.177
• InChiKey: FFLHNBGNAWYMRH-UHFFFAOYSA-N

物化性质

• 沸点：
  129 °C
• 密度：
  1.257±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  38.7
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 危险类别码：
  R36/37/38
• 海关编码：
  2932999099
• 安全说明：
  S26,S36/37/39
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335

SDS

Name:	2 3-Dihydro-1 4-benzodioxin-6-ylmethanol 97% Material Safety Data Sheet
Synonym:	6-Hydroxymethylbenzodioxan
CAS:	39270-39-8

Section 1 - Chemical Product MSDS Name:2 3-Dihydro-1 4-benzodioxin-6-ylmethanol 97% Material Safety Data Sheet
Synonym:6-Hydroxymethylbenzodioxan

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
39270-39-8	2,3-dihydro-1,4-benzodioxin-6-ylmethan		254-396-7

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause 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.
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:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable 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:
Store in a cool, dry place. Store in a tightly closed container.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 39270-39-8: 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: Liquid
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 129 deg C @0.2mmHg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C9H10O3
Molecular Weight: 166

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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, bases.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 39270-39-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2,3-dihydro-1,4-benzodioxin-6-ylmethanol - 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: Not available.
Risk Phrases:
Safety Phrases:
WGK (Water Danger/Protection)
CAS# 39270-39-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 39270-39-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 39270-39-8 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：

  2,3-二氢-1,4-苯并二氧甲醇 在 氧气 作用下， 反应 16.0h， 以82%的产率得到2,3-二氢-1,4-苯并二噁烷-6-羧酸
  参考文献：
  名称：

  在无金属和无碱条件下，双（甲氧基丙基）醚促进了O 2将芳族醇氧化为芳族羧酸和芳族酮

  摘要：

  我们描述了一种环保型，实用且操作简单的程序，用于将双（甲氧基丙基）醚促进的芳香族醇氧化成芳香族羧酸和芳香族酮，并以大气中的双氧作为唯一氧化剂。该化学过程是清洁的，具有高转化率和良好的选择性，并且不需要外部引发剂，催化剂，添加剂和碱。该反应的优点在于其易于获得，经济的原料以及出色的官能团耐受性（对酸，碱和氧化剂不稳定的基团）。

  DOI：

  10.1039/c8gc00223a
• 作为产物：
  描述：

  1,4-苯并二恶烷-6-甲醛 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 反应 2.0h， 生成 2,3-二氢-1,4-苯并二氧甲醇
  参考文献：
  名称：

  Synthesis, in Vitro Antimycobacterial and Antibacterial Evaluation of IMB-070593 Derivatives Containing a Substituted Benzyloxime Moiety

  摘要：

  合成并评价了一系列含有取代苯甲酰肟基团且脂溶性显著提高的新型IMB-070593衍生物的体外抗分枝杆菌和抗菌活性。我们的结果显示，目标化合物19a–m对革兰氏阳性菌具有相当高的活性（MIC：<0.008–32 µg/mL），尽管它们对革兰氏阴性菌的活性通常低于参考药物。特别是化合物19h、19j、19k和19m对所有测试的革兰氏阳性菌株显示出良好的活性（MICs：<0.008–4 µg/mL），包括对环丙沙星（CPFX）和/或左氧氟沙星（LVFX）耐药的甲氧西林敏感金黄色葡萄球菌（MSSA）、甲氧西林耐药金黄色葡萄球菌（MRSA）和表皮葡萄球菌（MSSE）。此外，化合物19l（MIC：0.125 µg/mL）对抗ATCC 27294的结核杆菌H37Rv的活性是母体化合物IMB070593、环丙沙星和左氧氟沙星的2–4倍。

  DOI：

  10.3390/molecules18043872

文献信息

• Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：US20150231142A1

  公开（公告）日：2015-08-20

  The present invention relates to pharmaceutical compositions comprising an inhibitor of epithelial sodium channel activity in combination with at least one ABC Transporter modulator compound of Formula A, Formula B, Formula C, or Formula D. The invention also relates to pharmaceutical formulations thereof, and to methods of using such compositions in the treatment of CFTR mediated diseases, particularly cystic fibrosis using the pharmaceutical combination compositions.

  本发明涉及含有上皮钠通道活性抑制剂与至少一种ABC转运蛋白调节剂化合物（A式、B式、C式或D式）的药物组合物。该发明还涉及这些药物配方，以及使用这些组合物治疗CFTR介导的疾病，特别是囊性纤维化的方法。
• COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES
  申请人：Van Goor Fredrick F.

  公开号：US20110098311A1

  公开（公告）日：2011-04-28

  The present invention relates to pharmaceutical compositions comprising an inhibitor of epithelial sodium channel activity in combination with at least one ABC Transporter modulator compound of Formula A, Formula B, Formula C, or Formula D. The invention also relates to pharmaceutical formulations thereof, and to methods of using such compositions in the treatment of CFTR mediated diseases, particularly cystic fibrosis using the pharmaceutical combination compositions.

  本发明涉及包含上皮钠通道活性抑制剂与至少一种ABC转运蛋白调节剂化合物（A式、B式、C式或D式）的药物组合物。该发明还涉及这些药物配方，以及使用这些组合物治疗CFTR介导的疾病，特别是囊性纤维化的方法。
• 苯并咪唑或氮杂苯并咪唑-6-羧酸类化合物及其应用
  申请人：广州必贝特医药股份有限公司

  公开号：CN113480534B

  公开（公告）日：2022-05-13

  本发明公开了一种苯并咪唑或氮杂苯并咪唑‑6‑羧酸类化合物及其应用，所述苯并咪唑或氮杂苯并咪唑‑6‑羧酸类化合物具有式(I)所示结构。该苯并咪唑或氮杂苯并咪唑‑6‑羧酸类化合物可以有效激活GLP‑1R下游信号通路，提高cAMP的表达，从而达到促进胰岛素分泌，治疗糖尿病及其并发症的作用，有较大的应用价值。
• Propynyl benzyl ethers
  申请人：Hoffmann-La Roche Inc.

  公开号：US03946040A1

  公开（公告）日：1976-03-23

  Propynyl benzyl ethers having juvenile hormone-like activity which are 4-halogen, lower alkyl, lower alkoxy or propynyloxy substituted or 3,4-lower alkylenedioxy substituted and which can also be 3,5- and/or .alpha.-substituted, and insecticide compositions that include at least one propynyl benzyl ether and that can also include a conventional insect-poison.

  具有类似于幼虫激素活性的丙炔基苄醚，其为4-卤素、较低烷基、较低烷氧基或丙炔氧基取代或3,4-较低烷基二氧取代的化合物，也可以是3,5-和/或α-取代的化合物，以及包括至少一种丙炔基苄醚的杀虫剂组合物，该组合物还可以包括传统的杀虫剂。
• Reusable Co-nanoparticles for general and selective <i>N</i>-alkylation of amines and ammonia with alcohols
  作者：Zhuang Ma、Bei Zhou、Xinmin Li、Ravishankar G. Kadam、Manoj B. Gawande、Martin Petr、Radek Zbořil、Matthias Beller、Rajenahally V. Jagadeesh

  DOI：10.1039/d1sc05913k

  日期：——

  A general cobalt-catalyzed N-alkylation of amines with alcohols by borrowing hydrogen methodology to prepare different kinds of amines is reported. The optimal catalyst for this transformation is prepared by pyrolysis of a specific templated material, which is generated in situ by mixing cobalt salts, nitrogen ligands and colloidal silica, and subsequent removal of silica. Applying this novel Co-nanoparticle-based

  报道了一种通用的钴催化胺与醇的N-烷基化反应，利用氢方法制备不同种类的胺。这种转化的最佳催化剂是通过热解特定的模板材料来制备的，该模板材料是通过混合钴盐、氮配体和胶态二氧化硅原位生成的，然后去除二氧化硅。应用这种新型Co纳米粒子基材料，>100伯胺、仲胺和叔胺（包括N-甲胺）和选定的药物分子可以从廉价且容易获得的醇和胺或氨开始方便地制备。