2H-二苯并呋喃-3-羰酰氯 | 41873-72-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 中文名称: 2H-二苯并呋喃-3-羰酰氯
• 英文名称: chlorure d'acide chromene carboxylique-3
• 英文别名: 3-2H-Benzopyranoylchlorid；2H-chromene-3-carbonyl chloride；2H-chromene-3-carbonyl chloride
• CAS: 41873-72-7
• 化学式: C₁₀H₇ClO₂
• mdl: MFCD03086174
• 分子量: 194.617
• InChiKey: RTKZPVOAMHWVCN-UHFFFAOYSA-N

物化性质

• 熔点：
  73 °C
• 沸点：
  309.6±42.0 °C(Predicted)
• 密度：
  1.344±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险品标志：
  C
• 危险类别码：
  R20/21/22,R34
• 海关编码：
  2916190090
• 安全说明：
  S26,S36/37/39,S45

SDS

Name:	2H-Chromene-3-carbonyl chloride 95+% Material Safety Data Sheet
Synonym:
CAS:	41873-72-7

Section 1 - Chemical Product MSDS Name:2H-Chromene-3-carbonyl chloride 95+% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
41873-72-7	2H-Chromene-3-carbonyl chloride	95+%	unlisted

Hazard Symbols: C
Risk Phrases: 20/21/22 34

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed. Causes burns.Moisture sensitive.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
Causes gastrointestinal tract burns.
Inhalation:
Causes chemical burns to the respiratory tract.
Chronic:
Not available.

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Section 4 - FIRST AID MEASURES
Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Do not induce vomiting. Get medical aid immediately.
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 foam, dry chemical, or carbon dioxide.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.

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Section 7 - HANDLING and STORAGE
Handling:
Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Corrosives area. Store under an inert atmosphere.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 41873-72-7: 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: Solid
Color: pale yellow
Odor: characteristic odor
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 67 - 69 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: C10H7ClO2
Molecular Weight: 194.62

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials, exposure to moist air or water.
Incompatibilities with Other Materials:
Strong oxidizing agents, bases.
Hazardous Decomposition Products:
Hydrogen chloride, chlorine, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 41873-72-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2H-Chromene-3-carbonyl chloride - 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
Shipping Name: CORROSIVE SOLID, TOXIC, N.O.S.*
Hazard Class: 8 (6.1)
UN Number: 2923
Packing Group: III
IMO
Shipping Name: CORROSIVE SOLID, TOXIC, N.O.S.
Hazard Class: 8 (6.1)
UN Number: 2923
Packing Group: III
RID/ADR
Shipping Name: CORROSIVE SOLID, TOXIC, N.O.S.
Hazard Class: 8 (6.1)
UN Number: 2923
Packing group: III

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
R 34 Causes burns.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 41873-72-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 41873-72-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 41873-72-7 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：

  2H-二苯并呋喃-3-羰酰氯 在 palladium on activated charcoal lithium aluminium tetrahydride 、 氢气 、 三乙胺 作用下， 以 乙醚 、 乙醇 、 苯 为溶剂， 生成 1-Chroman-3-ylmethyl-4-phenyl-piperazine
  参考文献：
  名称：

  Gupta, R. C.; Pratap, Ram; Prasad, C. R., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1982, vol. 21, # 4, p. 344 - 347

  摘要：

  DOI：
• 作为产物：
  描述：

  2H-苯并吡喃-3-甲酸 在 草酰氯 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 2H-二苯并呋喃-3-羰酰氯
  参考文献：
  名称：

  取代的色烯作为有效的口服活性5-脂氧合酶抑制剂。

  摘要：

  合成了一系列色烯衍生物，并对其体外和离体的5-脂氧合酶（5-LO）抑制活性进行了评估。这些化合物的制备方法是将适当的水杨醛与α，β-不饱和羰基化合物缩合，然后转化为相应的异羟肟酸或N-羟基脲。如豚鼠PMN 5-LO测定所表明的，将苯氧基或对氟苯氧基取代基放置在亚甲基环的6位上导致体外效能的显着提高。通常，在离体狗模型中，二氯异羟肟酸的性能较差。另一方面，用N-羟基脲代替异羟肟酸的功能在狗模型中产生了有效且持久的5-LO抑制剂。在大多数情况下，色烯N-羟基脲的口服功效与其体外活性非常相关。化合物43（CGS 23885）和55（CGS 24891）是制备的最有效的抑制剂，其IC50值分别为48和51 nM。静脉内（iv）给药1.0 mg / kg后，化合物43和55的作用持续时间（DA）值分别为21和20 h。在口服（po）实验中，以1.0 mg / kg的剂量，43和55的DA分别为14和15

  DOI：

  10.1021/jm00075a013

文献信息

• Design and synthesis of chiral 2 H -chromene- N -imidazolo-amino acid conjugates as aldose reductase inhibitors
  作者：Gudipudi Gopinath、Venu Sankeshi、Shaym perugu、Malini D. Alaparthi、Srinivas Bandaru、Vijay K. Pasala、Prasad Rao Chittineni、G.L.David Krupadanam、Someswar R. Sagurthi

  DOI：10.1016/j.ejmech.2016.08.070

  日期：2016.11

  Aldose reductase (ALR2) inhibitors provide a viable mode to fight against diabetic complications. ALR2 exhibit plasticity in the active site vicinities and possible shifts in the nearby two supporting alpha helices. Therefore, a novel series of amino acid conjugates of chromene-3-imidazoles (13–15) were designed and synthesized based on natural isoflavonoids. The compounds were identified on the basis

  醛糖还原酶（ALR2）抑制剂为对抗糖尿病并发症提供了一种可行的模式。ALR2在活动部位附近表现出可塑性，并且在附近的两个支撑α螺旋中可能发生位移。因此，在天然异黄酮的基础上，设计并合成了一系列新的色烯-3-咪唑（13-15）的氨基酸缀合物。根据光谱数据（1 H NMR，13 C NMR和MS）鉴定化合物，并在体外测试ALR2抑制活性，IC 50值范围为0.031± 0.082μM至4.29±0.55μM。我们的计算机和生化研究证实了15e在对醛还原酶（ALR1）具有高选择指数的合成化合物中，具有最佳的抑制活性。向STZ诱导的大鼠补充15e可以降低血糖水平，并以剂量​​依赖性方式延缓白内障的进展。因此，本研究提供了具有希望的抑制剂以预防或延缓白内障进展的一系列新化合物。
• Ruthenium-Catalyzed Oxidative Annulation and Hydroarylation of Chromene-3-carboxamides with Alkynes via Double C–H Functionalization
  作者：R. N. Prasad Tulichala、Mallepalli Shankar、K. C. Kumara Swamy

  DOI：10.1021/acs.joc.7b00008

  日期：2017.5.19

  unsymmetrical alkynes can be harnessed. High regioselectivity was achieved in the case of unsymmetrical alkynes. In addition, we have also accomplished double C–H activation by employing an excess of alkyne, where both annulation and hydroarylation took place regio- and stereoselectively in one pot, with the catalyst playing a dual role. While the first C–H functionalization could involve Ru–N covalent

  通过在Cu（OAc）2 ·H 2 O作为氧化剂和AgNTf 2的存在下使用酰胺的直接基团性质，实现了钌与2 H-色烯-3-羧酰胺与炔烃的氧化环化反应。作为添加剂。该反应提供了广泛的底物范围，并且可以利用对称和不对称炔烃。在不对称炔烃的情况下实现了高区域选择性。此外，我们还通过使用过量的炔烃实现了C–H的双重活化，其中在一个反应​​罐中区域选择性和立体选择性地进行了环化和加氢芳基化反应，催化剂起着双重作用。虽然第一个C–H功能化可能涉及Ru–N共价键，但是第二个C–H功能化很可能涉及Ru–O配位键。关键产物的结构通过X射线晶体学确认。
• 一种取代2H-苯并吡喃-3-甲酰苯胺类化合物及其制备方法与应用
  申请人：中国人民解放军军事科学院军事医学研究院

  公开号：CN116751178A

  公开（公告）日：2023-09-15

  本发明公开了一种取代2H‑苯并吡喃‑3‑甲酰苯胺类化合物及其制备方法与应用，取代2H‑苯并吡喃‑3‑甲酰苯胺类化合物的结构如式I所示,#imgabs0#该取代2H‑苯并吡喃‑3‑甲酰苯胺类化合物具有开发为抗辐射药物的潜力。
• Monomer, organic layer composition, organic layer, and method of forming patterns
  申请人：SAMSUNG SDI CO., LTD.

  公开号：US10332751B2

  公开（公告）日：2019-06-25

  A monomer, an organic layer composition including the monomer, an organic layer, and a method of forming patterns, the monomer being represented by Chemical Formula 1:

  一种单体、一种包括该单体的有机层组合物、一种有机层和一种形成图案的方法，该单体由化学式 1 表示：
• Monomer for hardmask composition and hardmask composition including the monomer and method of forming patterns using the hardmask composition
  申请人：Song Hyun-Ji

  公开号：US10345706B2

  公开（公告）日：2019-07-09

  A monomer for a hardmask composition is represented by the following Chemical Formula 1,

  用于硬质掩膜组合物的单体由以下化学式 1 表示、