2,3-二氢-1,4-苯并二噁英-5-甲醇 | 274910-19-9

• 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-苯并二噁英-5-甲醇
• 中文别名: 2,3-二氢-1,4-苯并二恶烷-5-甲基醇
• 英文名称: (2,3-dihydrobenzo[b][1,4]dioxin-5-yl)methanol
• 英文别名: 2,3-Dihydro-1,4-benzodioxin-5-ylmethanol
• CAS: 274910-19-9
• 化学式: C₉H₁₀O₃
• mdl: MFCD03659696
• 分子量: 166.177
• InChiKey: WATIARBIFSKYKC-UHFFFAOYSA-N

物化性质

• 熔点：
  54 °C
• 沸点：
  94-97 °C(Press: 0.28 Torr)
• 密度：
  1.257±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 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

• 危险品标志：
  Xi
• 海关编码：
  2932999099
• 安全说明：
  S24/25
• 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-5-ylmethanol 97% Material Safety Data Sheet
Synonym:
CAS:	274910-19-9

Section 1 - Chemical Product MSDS Name:2 3-Dihydro-1 4-benzodioxin-5-ylmethanol 97% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
274910-19-9	2,3-Dihydro-1,4-benzodioxin-5-ylmethan	97%	unlisted

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. Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid. Get medical aid immediately.
Skin:
Get medical aid. Get medical aid immediately. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Get medical aid immediately. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Wash mouth out with water.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
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. 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. Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing.
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# 274910-19-9: 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: Not available.
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 54 - 55 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: C9H10O3
Molecular Weight: 166.18

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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, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 274910-19-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2,3-Dihydro-1,4-benzodioxin-5-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:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 274910-19-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 274910-19-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 274910-19-9 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-苯并二噁英-5-甲醇 在 三溴化磷 作用下， 以 乙醚 为溶剂， 反应 1.0h， 以62%的产率得到5-溴甲基-2,3-二氢-1,4-苯并二噁烯
  参考文献：
  名称：

  结核病药物贝达喹啉类似物的构效关系，其中萘单元被双环杂环取代。

  摘要：

  用一系列亲脂性差异很大的双环杂环取代抗结核药物贝达喹啉的萘 C 单元，得到 clogP 值范围为 4.5 倍的类似物。这些化合物的生物学结果表明，该系列中的 clogP 下限平均约为 5.0，可保留针对培养物中M.tb的有效抑制活性（MIC 90 s）。与贝达喹啉相比，一些化合物还显示出对 hERG 通道钾电流的抑制显着降低，但没有共同的结构特征来区分这些化合物。

  DOI：

  10.1016/j.bmc.2018.02.026
• 作为产物：
  描述：

  2,3-二羟基苯甲醛 在 甲醇 、 sodium tetrahydroborate 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 生成 2,3-二氢-1,4-苯并二噁英-5-甲醇
  参考文献：
  名称：

  PYRANOQUINAZOLINE DERIVATIVES AND NAPHTHOPYRAN DERIVATIVES

  摘要：

  [问题] 传统光致变色化合物在着色/褪色速率和耐久性方面被认为不够充分，因此生产过程步骤繁多。本发明提供了一种工业上可应用的光致变色化合物，该化合物具有快速的着色/褪色反应和高耐久性，并且能够以低成本合成。[解决方案] 该化合物特征在于，吡喃喹唑啉（8H-吡喃[3,2-f]喹唑啉）骨架的1位碳原子和萘并吡喃（3H-萘并[2,1-b]吡喃）骨架的10位碳原子上连接有醚氧原子，该化合物具有光致变色特性，是一种具有快速着色/褪色反应和高耐久性的光致变色化合物。同时还提供了一种工业上可应用的、能够以低成本合成的光致变色化合物。

  公开号：

  US20200131193A1

文献信息

• [EN] TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE<br/>[FR] INHIBITEURS DE MYÉLOPEROXYDASE DE TYPE TRIAZOLOPYRIDINE ET TRIAZOLOPYRIMIDINE
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2016040417A1

  公开（公告）日：2016-03-17

  The present invention provides compounds of Formula (I): wherein A and R1 are each as defined in the specification, and compositions comprising any of such novel compounds. These compounds are myeloperoxidase (MPO) inhibitors and/or eosinophil peroxidase (EPX) inhibitors, which may be used as medicaments.

  本发明提供了式（I）的化合物：其中A和R1如规范中所定义，并包括任何此类新化合物的组合物。这些化合物是髓过氧化物酶（MPO）抑制剂和/或嗜酸性粒细胞过氧化物酶（EPX）抑制剂，可用作药物。
• [EN] NOVEL INDOLE AND PYRROLOPYRIDINE AMIDES<br/>[FR] NOUVEAUX AMIDES D'INDOLE ET DE PYRROLOPYRIDINE
  申请人：ACTELION PHARMACEUTICALS LTD

  公开号：WO2012114252A1

  公开（公告）日：2012-08-30

  The present invention relates to indole and pyrrolopyridine amide derivatives of formula (I) wherein R1, R 2, R 3, U, V, W, X, Y, Z and ring A are as described in the description, to their preparation, to pharmaceutically acceptable salts thereof, and to their use as pharmaceuticals, to pharmaceutical compositions containing one or more compounds of formula (I), and especially to their use as orexin receptor antagonists.

  本发明涉及式(I)的吲哚和吡咯吡啶酰胺衍生物，其中R1、R2、R3、U、V、W、X、Y、Z和环A如描述中所述，以及它们的制备方法，其药学上可接受的盐，以及它们作为药物的用途，含有式(I)的一个或多个化合物的药物组合物，特别是它们作为促进睡眠激素受体拮抗剂的用途。
• [EN] PURINE DERIVATIVES AS KINASE INHIBITORS<br/>[FR] DERIVES DE LA PURINE EN TANT QU'INHIBITEURS DE LA KINASE
  申请人：LILLY CO ELI

  公开号：WO2003076442A1

  公开（公告）日：2003-09-18

  The present invention provides kinase inhibitors of Formula I.

  本发明提供了化合物I的激酶抑制剂。
• [EN] ANTIBACTERIAL COMPOUNDS AND USES THEREOF<br/>[FR] COMPOSÉS ANTIBACTÉRIENS ET UTILISATIONS DE CEUX-CI
  申请人：THE GLOBAL ALLIANCE FOR TB DRUG DEV INC

  公开号：WO2017155909A1

  公开（公告）日：2017-09-14

  The present invention relates to compounds of formula (I) including any stereochemically isomeric form thereof, or pharmaceutically acceptable salts thereof, for the treatment of tuberculosis.

  本发明涉及式(I)的化合物，包括其任何立体化异构体或其药学上可接受的盐，用于治疗结核病。
• [EN] 3-(5-METHOXY-1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES AND USES THEREOF<br/>[FR] DÉRIVÉS DE 3-(5-MÉTHOXY-1-OXOISOINDOLIN-2-YL)PIPÉRIDINE-2,6-DIONE ET LEURS UTILISATIONS
  申请人：NOVARTIS AG

  公开号：WO2021124172A1

  公开（公告）日：2021-06-24

  The present disclosure relates to compounds of formula (I') and pharmaceutical compositions and their use in reducing Widely Interspaced Zinc Finger Motifs (WIZ) expression levels, or inducing fetal hemoglobin (HbF) expression, and in the treatment of inherited blood disorders (e.g., hemoglobinopathies, e.g., beta-hemoglobinopathies), such as sickle cell disease and beta-thalassemia.

  本公开涉及式(I')的化合物、药物组合物及其在降低广泛间隔锌指蛋白结构域（WIZ）表达水平、诱导胎儿血红蛋白（HbF）表达以及治疗遗传性血液疾病（例如，血红蛋白病，例如，β-血红蛋白病）方面的用途，如镰状细胞病和β-地中海贫血。