7-乙酰基-3,4-二氢-1,5-苯并二噁庚 | 22776-09-6

• 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: 7-乙酰基-3,4-二氢-1,5-苯并二噁庚
• 中文别名: 3,4-二氢-2H-1,5-苯并二氧烷)乙烷-1-酮
• 英文名称: 1-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)ethan-1-one
• 英文别名: 1-(3,4-dihydro-2H-benzo[b]1,4-dioxepin-7-yl)ethanone；1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanone；1-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-ethanone；3,4-Dihydro-1,5-benzodioxepin-7-yl-methyl-keton；3,4-Trimethylendioxy-acetophenon；1-(3,4-Dihydro-2h-1,5-benzodioxepin-7-yl)ethan-1-one
• CAS: 22776-09-6
• 化学式: C₁₁H₁₂O₃
• mdl: MFCD00114700
• 分子量: 192.214
• InChiKey: VGRSZNPWUZDPCH-UHFFFAOYSA-N

物化性质

• 沸点：
  120°C/0.5mm
• 密度：
  1.146±0.06 g/cm3(Predicted)
• 闪点：
  120°C/0.5mm
• 稳定性/保质期：
  <p><b></b></p>

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.363
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 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

SDS

Name:	1-(3 4-Dihydro-2h-1 5-benzodioxepin-7-yl)ethan-1-one 97% Material Safety Data Sheet
Synonym:	3,4-(Trimethylenedioxy)aceto phenon
CAS:	22776-09-6

Section 1 - Chemical Product MSDS Name:1-(3 4-Dihydro-2h-1 5-benzodioxepin-7-yl)ethan-1-one 97% Material Safety Data Sheet
Synonym:3,4-(Trimethylenedioxy)aceto phenon

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
22776-09-6	1-(3,4-Dihydro-2H-1,5-benzodioxepin-7-	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. 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# 22776-09-6: 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: orange
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
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:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C11H12O3
Molecular Weight: 192

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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# 22776-09-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)ethan-1-one - 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.

---

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# 22776-09-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 22776-09-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 22776-09-6 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

制备方法与用途

合成制备方法

目前没有具体描述合成制备方法的内容。

用途

当前也没有详细说明该物质的具体用途。

反应信息

• 作为反应物：
  描述：

  7-乙酰基-3,4-二氢-1,5-苯并二噁庚 在 溴 作用下， 以 乙醇 为溶剂， 反应 1.0h， 以88%的产率得到2-溴-1-(3,4-二氢-1,5-苯并氧-7-)乙酮
  参考文献：
  名称：

  保护儿茶酚二羟基的有效策略

  摘要：

  已开发出一种保护儿茶酚二羟基的新策略。邻苯二酚与 1,3-二溴丙烷的碱介导环化提供了相应的苯并[b]1,4-二氧杂环己烷，因此保护基团很容易被氯化铝裂解。由邻苯二酚制备抗菌和抗真菌剂 4-(2-aminothiazol-4-yl)benzo-1,2-diol 可靠地验证了其适用于各种苛刻反应条件的可用性。

  DOI：

  10.1055/s-0032-1318332
• 作为产物：
  描述：

  邻苯二酚 在 potassium carbonate 、 zinc(II) chloride 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 5.0h， 生成 7-乙酰基-3,4-二氢-1,5-苯并二噁庚
  参考文献：
  名称：

  保护儿茶酚二羟基的有效策略

  摘要：

  已开发出一种保护儿茶酚二羟基的新策略。邻苯二酚与 1,3-二溴丙烷的碱介导环化提供了相应的苯并[b]1,4-二氧杂环己烷，因此保护基团很容易被氯化铝裂解。由邻苯二酚制备抗菌和抗真菌剂 4-(2-aminothiazol-4-yl)benzo-1,2-diol 可靠地验证了其适用于各种苛刻反应条件的可用性。

  DOI：

  10.1055/s-0032-1318332

文献信息

• [EN] PHENYL-HETEROCYCLE-PHENYL DERIVATIVES FOR USE IN THE TREATMENT OR PREVENTION OF MELANOMA<br/>[FR] DÉRIVÉS DE PHÉNYL-HÉTÉROCYCLE-PHÉNYLE DESTINÉS À UNE UTILISATION DANS LE TRAITEMENT OU LA PRÉVENTION D'UN MÉLANOME
  申请人：MAX PLANCK GESELLSCHAFT

  公开号：WO2018206778A1

  公开（公告）日：2018-11-15

  The present invention relates to a compound represented by the formula (E) which is useful for treating or preventing melanoma.

  本发明涉及一种化合物，其化学式表示为（E），用于治疗或预防黑色素瘤。
• [EN] GLYCOSIDASE INHIBITORS<br/>[FR] INHIBITEURS DE GLYCOSIDASES
  申请人：ASCENEURON SA

  公开号：WO2016030443A1

  公开（公告）日：2016-03-03

  Compounds of formula (I) wherein A, R, W, Q, n and m have the meaning according to the claims can be employed, inter alia, for the treatment of tauopathies and Alzheimer's disease.

  式（I）中A、R、W、Q、n和m的含义如权利要求所述，可用于治疗tau病和阿尔茨海默病。
• Azetidinone Derivatives and Methods of Use Thereof
  申请人：Aslanian G. Robert

  公开号：US20080076751A1

  公开（公告）日：2008-03-27

  The present invention relates to Azetidinone Derivatives, compositions comprising an Azetidinone Derivative and methods for treating or preventing a disorder of lipid metabolism, pain, diabetes, a vascular condition, demyelination or nonalcoholic fatty liver disease, comprising administering to a patient an effective amount of an Azetidinone Derivative.

  本发明涉及吲哚酮衍生物，包含吲哚酮衍生物的组合物以及治疗或预防脂质代谢紊乱、疼痛、糖尿病、血管疾病、脱髓鞘病或非酒精性脂肪肝病的方法，包括向患者投予有效量的吲哚酮衍生物。
• AMINOAMIDES AS OREXIN ANTAGONISTS
  申请人：Gobbi Luca

  公开号：US20080221166A1

  公开（公告）日：2008-09-11

  The present invention relates to compounds of formula I wherein Ar 1 , Ar 2 , Ar 3 , n, and R 1 to R 8 are as defined herein and to pharmaceutically suitable acid addition salts, optically pure enantiomers, racemates or diastereomeric mixtures thereof. These compounds are orexin receptor antagonists and may be useful in the treatment of disorders, in which orexin pathways are involved, like sleep disorders.

  本发明涉及具有以下结构的化合物（I）其中Ar1，Ar2，Ar3，n和R1至R8的定义如本文所述，并且涉及其药用适宜的酸加盐、光学纯对映体、混合物或二对映异构体。这些化合物是促进睡眠的受体拮抗剂，可能在涉及促进睡眠途径的疾病治疗中有用，如睡眠障碍。
• AZETIDINE DERIVATIVES USEFUL IN TREATING PAIN, DIABETES AND DISORDERS OF LIPID METABOLISM
  申请人：McKittrick A. Brian

  公开号：US20080089858A1

  公开（公告）日：2008-04-17

  Disclosed are compounds of the formula: and compounds of the formula: wherein R 1 , R 2 , R 3 , R 4 , R 5 , u and v are as defined herein. Also disclosed are methods of treating pain (e.g., inflammatory pain, chronic pain, and neuropathic pain), methods of treating diabetes, and methods of inhibiting the absorption of cholesterol using compounds of formula I or IIA.

  本发明涉及以下式的化合物：以及以下式的化合物：其中R1，R2，R3，R4，R5，u和v如本文所定义。本发明还涉及使用I或IIA式化合物治疗疼痛（例如，炎性疼痛，慢性疼痛和神经病理性疼痛）的方法，治疗糖尿病的方法以及抑制胆固醇吸收的方法。