6-氯-7-甲基黄酮 - CAS号 147919-60-6

物化性质

熔点：

178-180 °C(lit.)
稳定性/保质期：

遵照规定使用和储存，则不会发生分解。

计算性质

辛醇/水分配系数(LogP)：

4.6
重原子数：

19
可旋转键数：

1
环数：

3.0
sp3杂化的碳原子比例：

0.06
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：

Xi
海关编码：

2932999099
储存条件：

存于0至6℃阴凉干燥处密封保存。

SDS

SDS：459892657ebebd77835f454c522dbf46

查看

Name:	6-Chloro-7-methylflavone Material Safety Data Sheet
Synonym:	None Known
CAS:	147919-60-6

Section 1 - Chemical Product MSDS Name:6-Chloro-7-methylflavone Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
147919-60-6	6-Chloro-7-methylflavone	99	unlisted

Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
Chronic:
No information found.

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.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. 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:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Treat symptomatically and supportively.

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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

Section 7 - HANDLING and STORAGE
Handling:
Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing.
Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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# 147919-60-6: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
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.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 178 - 180 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: Insoluble.
Specific Gravity/Density:
Molecular Formula: C16H11ClO2
Molecular Weight: 270.72

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 147919-60-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
6-Chloro-7-methylflavone - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION

Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION

IATA
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
RID/ADR
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing group:

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 147919-60-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 147919-60-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 147919-60-6 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

作为反应物：

描述：

6-氯-7-甲基黄酮在盐酸羟胺、 β-环糊精作用下，以乙醇、水为溶剂，反应 0.53h，以91%的产率得到

参考文献：

名称：

β-环糊精（β-CD）作为超分子催化剂合成异恶唑和硫嘧啶类化合物及其抗菌筛选

摘要：

背景：异恶唑和嘧啶是有趣的杂环分子，在许多天然产物合成药物中作为结构基序存在。异恶唑和硫代嘧啶具有抗糖尿病，细胞毒性结核抑制和抗惊厥活性。本文中，我们首次报道了在水介质中，β-环糊精作为可重复使用的催化剂，通过2-芳基色酮与盐酸羟胺和硫脲的开环反应，合成了异恶唑和硫代嘧啶。方法：报道了2-芳基色酮与羟胺盐酸盐和硫脲分别在乙醇-水中超声作用下，β-环糊精催化合成异恶唑和硫代嘧啶衍生物。该反应在80°C进行，收率极佳，β-环糊精可回收再利用。评价了新合成的异恶唑和硫代嘧啶的抗菌活性。结果：在继续我们对β-CD的研究和开发新方法的过程中，我们公开了一种新的合成异恶唑2a-n和硫代嘧啶3a-n的方法，该方法涉及2-芳基色酮与盐酸羟胺和硫脲的反应。 β-环糊精作为可循环利用催化剂在80oC的水中超声处理时，收率很高。由2-芳基色酮合成异恶唑2a-n和硫代嘧啶3a-n的一般方案描述于方案1。如此获得的产物的结构通过1

DOI：

10.2174/1570178614666161230124807
作为产物：

描述：

1-(5-氯-2-羟基-4-甲苯)-3-苯基-1,3-丙二酮在 copper dichloride 作用下，以乙醇为溶剂，反应 0.08h，以96%的产率得到6-氯-7-甲基黄酮

参考文献：

名称：

微波辅助合成功能性黄酮和色酮

摘要：

描述了一种通过1-（2-羟基芳基）-3-芳基-1,3-丙二酮的环化来简便地合成功能化黄酮和色酮的方法。

DOI：

10.1016/j.tetlet.2005.07.038

点击查看最新优质反应信息

文献信息

Regioselective Synthesis of Methyl 2,3-Dihydro-2-aryl Benzofuran-3-Carboxylates Using Thallium(III) Nitrate

作者：Mahavir S. Khanna、Om V. Singh、Chandra P. Garg、Ram. P. Kapoor

DOI：10.1080/00397919308009816

日期：1993.3.1

Abstract Flavanones (1a–d) undergo smooth ring contraction with thallium(III) nitrate in presence of perchloric acid and trimethyl orthoformate resulting in the formation of methyl 2,3-dihydro-2-arylbenzofuran-3-carboxylates (2a–d) in good yields. The mechanism of this oxidation has also been discussed.

摘要在高氯酸和原甲酸三甲酯存在下，黄烷酮 (1a-d) 与硝酸铊 (III) 发生平滑的环收缩，导致形成 2,3-二氢-2-芳基苯并呋喃-3-羧酸甲酯 (2a-d)。良好的收益。还讨论了这种氧化的机制。
Hypervalent Iodine Oxidation of Flavanones: A New Synthesis of Methyl 2-Aryl-2,3-dihydrobenzofuran-3-carboxylates by 1,2-Aryl Shift

作者：Om Prakash、Madan P. Tanwar

DOI：10.1246/bcsj.68.1168

日期：1995.4

Flavanones (1), on oxidation with (diacetoxyiodo)benzene-sulfuric acid (DIB–H2SO4) or (hydroxy)tosyloxy)iodo)benzene (HTIB) in trimethyl orthoformate, undergo facile ring contraction by 1,2-aryl shift, thereby yielding methyl 2-aryl-2,3-dihydrobenzofuran-3-carboxylates (4) as major products (40—80%). cis-3-Methoxyflavanones (5) and flavones (3) are the minor products formed in variable ratios.

黄烷酮 (1) 在用原甲酸三甲酯中的（二乙酰氧基碘）苯-硫酸（DIB–H2SO4）或（羟基）甲苯磺酰氧基）碘）苯（HTIB）氧化时，通过 1,2-芳基位移发生容易的环收缩，从而产生2-芳基-2,3-二氢苯并呋喃-3-羧酸甲酯 (4) 作为主要产物 (40-80%)。顺式 3-甲氧基黄烷酮 (5) 和黄酮 (3) 是以可变比例形成的次要产物。
Synthesis of Flavones through NaI‐Mediated Electrochemical Cyclization of Chalcones

作者：Taweesak Gulchatchai、Thao Nguyen Thanh Huynh、Natthanan Vijara、Tanatorn Khotavivattana、Mongkol Sukwattanasinitt、Sumrit Wacharasindhu

DOI：10.1002/ejoc.202300556

日期：2023.9.21

In this work, we demonstrated a novel electrochemical oxidative cyclization for synthesis of flavone from 2’-hydroxychalcone using an inexpensive using low toxic NaI as mediator/electrolyte without external additives in EtOH/water solvent. The key features of this reaction include its broad substrate scope, scalability, ability to operate with benign solvent at room temperature, and no requirement

在这项工作中，我们展示了一种新型电化学氧化环化方法，用于从 2'-羟基查耳酮合成黄酮，使用廉价的低毒 NaI 作为介体/电解质，无需外部添加剂，在乙醇/水溶剂中。该反应的主要特点包括底物范围广泛、可扩展性、能够在室温下使用良性溶剂进行操作，并且不需要强氧化剂和外部添加剂。
Tire with rubber containing flavone

申请人：THE GOODYEAR TIRE & RUBBER COMPANY

公开号：EP1391327A1

公开（公告）日：2004-02-25

The invention relates to a rubber composition and a pneumatic tire having a component comprising a rubber containing the reaction product of a flavone and a methylene donor.

本发明涉及一种橡胶组合物和充气轮胎，其成分包括含有黄酮和亚甲基供体反应产物的橡胶。
Rubber composition and tire with rubber containing flavone

申请人：The Goodyear Tire & Rubber Company

公开号：EP2730431A1

公开（公告）日：2014-05-14

A rubber composition comprising a diene based elastomer and an adhesion promoter derived from a flavone, a methylene donor and a methylene acceptor is disclosed. The rubber composition is essentially free of cobalt. Also, a pneumatic tire comprising such a rubber composition is disclosed.

本发明公开了一种橡胶组合物，该组合物包含一种二烯基弹性体和一种由黄酮、亚甲基供体和亚甲基受体衍生的附着力促进剂。该橡胶组合物基本上不含钴。此外，还公开了一种包含这种橡胶组合物的充气轮胎。

6-氯-7-甲基黄酮 | 147919-60-6

分子结构分类

物化性质

计算性质

安全信息

SDS

反应信息

文献信息

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