4,5-二苯基-1,3-二氧戊环烯-2-酮 | 21240-34-6

• 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: 4,5-二苯基-1,3-二氧戊环烯-2-酮
• 中文别名: 4,5-二苯基-1,3-二氧环戊-2-酮；1,2-二苯基亚乙烯基碳酸盐；1,2-二苯基亚乙烯基碳酸酯；苯偶姻环碳酸酯
• 英文名称: 4,5-diphenyl-1,3-dioxol-2-one
• 英文别名: Diphenylvinylencarbonat
• CAS: 21240-34-6
• 化学式: C₁₅H₁₀O₃
• 分子量: 238.243
• InChiKey: SROHGOJDCAODGI-UHFFFAOYSA-N

物化性质

• 熔点：
  71-75 °C(lit.)
• 沸点：
  366.3±52.0 °C(Predicted)
• 密度：
  1.288±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• WGK Germany：
  3
• 海关编码：
  2932999099
• 安全说明：
  S22,S24/25
• 储存条件：
  2-8°C

SDS

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SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name : 4,5-Diphenyl-1,3-dioxol-2-one
REACH No. : A registration number is not available for this substance as the substance
or its uses are exempted from registration, the annual tonnage does not
require a registration or the registration is envisaged for a later
registration deadline.
CAS-No. : 21240-34-6
Relevant identified uses of the substance or mixture and uses advised against
Identified uses : Laboratory chemicals, Manufacture of substances

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SECTION 2: Hazards identification
Classification of the substance or mixture
Not a hazardous substance or mixture according to Regulation (EC) No. 1272/2008.
Not a hazardous substance or mixture according to EC-directives 67/548/EEC or 1999/45/EC.
Label elements
The product does not need to be labelled in accordance with EC directives or respective national laws.
Other hazards - none

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SECTION 3: Composition/information on ingredients
Substances
Formula : C15H10O3
Molecular Weight : 238,24 g/mol
CAS-No. : 21240-34-6
EC-No. : 244-287-2
No components need to be disclosed according to the applicable regulations.

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SECTION 4: First aid measures
Description of first aid measures
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration.
In case of skin contact
Wash off with soap and plenty of water.
In case of eye contact
Flush eyes with water as a precaution.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water.
Most important symptoms and effects, both acute and delayed
The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in
section 11
Indication of any immediate medical attention and special treatment needed
no data available

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SECTION 5: Firefighting measures
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Carbon oxides
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
no data available

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SECTION 6: Accidental release measures
Personal precautions, protective equipment and emergency procedures
Avoid dust formation. Avoid breathing vapours, mist or gas.
For personal protection see section 8.
Environmental precautions
Do not let product enter drains.
Methods and materials for containment and cleaning up
Sweep up and shovel. Keep in suitable, closed containers for disposal.
Reference to other sections
For disposal see section 13.

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SECTION 7: Handling and storage
Precautions for safe handling
Provide appropriate exhaust ventilation at places where dust is formed.Normal measures for preventive fire
protection.
For precautions see section 2.2.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Light sensitive.
Specific end use(s)
Apart from the uses mentioned in section 1.2 no other specific uses are stipulated

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SECTION 8: Exposure controls/personal protection
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
General industrial hygiene practice.
Personal protective equipment
Eye/face protection
Use equipment for eye protection tested and approved under appropriate government standards
such as NIOSH (US) or EN 166(EU).
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
Body Protection
Choose body protection in relation to its type, to the concentration and amount of dangerous
substances, and to the specific work-place., The type of protective equipment must be selected
according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
Respiratory protection is not required. Where protection from nuisance levels of dusts are desired,
use type N95 (US) or type P1 (EN 143) dust masks. Use respirators and components tested and
approved under appropriate government standards such as NIOSH (US) or CEN (EU).
Control of environmental exposure
Do not let product enter drains.

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SECTION 9: Physical and chemical properties
Information on basic physical and chemical properties
a) Appearance Form: crystalline
Colour: beige
b) Odour no data available
c) Odour Threshold no data available
d) pH no data available
e) Melting point/freezing Melting point/range: 71 - 75 °C
point
f) Initial boiling point and no data available
boiling range
g) Flash point no data available
h) Evapouration rate no data available
i) Flammability (solid, gas) no data available
j) Upper/lower no data available
flammability or
explosive limits
k) Vapour pressure no data available
l) Vapour density no data available
m) Relative density no data available
n) Water solubility no data available
o) Partition coefficient: n- no data available
octanol/water
p) Auto-ignition no data available
temperature
q) Decomposition no data available
temperature
r) Viscosity no data available
s) Explosive properties no data available
t) Oxidizing properties no data available
Other safety information
no data available

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SECTION 10: Stability and reactivity
Reactivity
no data available
Chemical stability
Stable under recommended storage conditions.
Possibility of hazardous reactions
no data available
Conditions to avoid
no data available
Incompatible materials
Strong oxidizing agents
Hazardous decomposition products
Other decomposition products - no data available
In the event of fire: see section 5

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SECTION 11: Toxicological information
Information on toxicological effects
Acute toxicity
no data available
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitisation
no data available
Germ cell mutagenicity
no data available
Carcinogenicity
IARC: No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
no data available
Specific target organ toxicity - single exposure
no data available
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Additional Information
RTECS: Not available
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.

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SECTION 12: Ecological information
Toxicity
no data available
Persistence and degradability
no data available
Bioaccumulative potential
no data available
Mobility in soil
no data available
Results of PBT and vPvB assessment
PBT/vPvB assessment not available as chemical safety assessment not required/not conducted
Other adverse effects
no data available

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SECTION 13: Disposal considerations
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company.
Contaminated packaging
Dispose of as unused product.

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SECTION 14: Transport information
UN number
ADR/RID: - IMDG: - IATA: -
UN proper shipping name
ADR/RID: Not dangerous goods
IMDG: Not dangerous goods
IATA: Not dangerous goods
Transport hazard class(es)
ADR/RID: - IMDG: - IATA: -
Packaging group
ADR/RID: - IMDG: - IATA: -
Environmental hazards
ADR/RID: no IMDG Marine pollutant: no IATA: no
Special precautions for user
no data available

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SECTION 15: Regulatory information
This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
Safety, health and environmental regulations/legislation specific for the substance or mixture
no data available
Chemical Safety Assessment
For this product a chemical safety assessment was not carried out

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SECTION 16: Other information
Further information
Copyright 2014 Co. LLC. License granted to make unlimited paper copies for internal use
only.
The above information is believed to be correct but does not purport to be all inclusive and shall be
used only as a guide. The information in this document is based on the present state of our knowledge
and is applicable to the product with regard to appropriate safety precautions. It does not represent any
guarantee of the properties of the product. Corporation and its Affiliates shall not be held
liable for any damage resulting from handling or from contact with the above product. See
and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.

制备方法与用途

化学性质：白色晶体，熔点为75-76℃。它溶于乙醇而不溶于水。

用途：作为有机合成中间体。

生产方法：采用N,N-二甲基苯胺作催化剂，苯偶姻与光气反应，可得到成品，收率在65-70%之间。

反应信息

• 作为反应物：
  描述：

  4,5-二苯基-1,3-二氧戊环烯-2-酮 在 二正丁基氧化锡 作用下， 生成 乙醯苯偶姻
  参考文献：
  名称：

  1,2,2-二丁基-1,3,2-二氧黄烷醇

  摘要：

  环糊精或其碳酸亚乙烯酯（碳酸亚乙烯酯）与二丁基氧化锡或二甲基二丁基锡反应，生成2,2-二丁基-1,3,2-二氧黄烷醇[例如（A）]。

  DOI：

  10.1039/p19830000875
• 作为产物：
  描述：

  以 甲苯 为溶剂， 反应 5.0h， 生成 4,5-二苯基-1,3-二氧戊环烯-2-酮
  参考文献：
  名称：

  Sahu, Devi Prasad, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2002, vol. 41, # 8, p. 1722 - 1723

  摘要：

  DOI：

文献信息

• Cannabimimetic lipid amides as useful medications
  申请人：University of Connecticut

  公开号：US07161016B1

  公开（公告）日：2007-01-09

  Novel analogs of arachidonylethanolamide are presented which have higher affinities for the cannabinoid CB1 and/or CB2 receptor sites. Further, most of the analogs exhibit greater metabolic stability than arachidonylethanolamide. The improved receptor affinity and selectivity and/or greater metabolic stability make these analogs therapeutically useful as medications for relief of pain caused by cancer and nausea caused by chemotherapy, as well as for peripheral pain. The compounds may also be useful as oral and topical contraceptives, in suppression of the immune system, enhancement of appetite and in treatment of psychomotor disorders, multiple sclerosis and hypertension.

  新型的花生四烯酰乙醇胺类似物具有更高的亲和力，适用于大麻素CB1和/或CB2受体位点。此外，大多数类似物表现出比花生四烯酰乙醇胺更高的代谢稳定性。改善的受体亲和力和选择性和/或更高的代谢稳定性使这些类似物在作为药物用于缓解癌症引起的疼痛和化疗引起的恶心，以及外周疼痛方面具有治疗用途。这些化合物也可能用于口服和局部避孕药、免疫系统抑制、增强食欲以及治疗精神运动障碍、多发性硬化和高血压。
• Quantitative Solid-State Reactions of Amines with Carbonyl Compounds and Isothiocyanates
  作者：Gerd Kaupp、Jens Schmeyers、Juergen Boy

  DOI：10.1016/s0040-4020(00)00511-1

  日期：2000.9

  solid anhydrides to give diamides (therefrom imides) or amidic carboxylic salts or imides, with solid imides to give diamides, with solid lactones or carbonates to give functionalized carbamic esters, with polycarbonates to give degradative aminolysis, and with solid isothiocyanates to give thioureas. Diamides give imides by solid-state thermolysis or acid catalysis. Various double, two-step, 3-cascade

  据报道，气态或固态胺与醛的一系列固相反应生成亚胺，固态酸酐生成二酰胺（由酰亚胺生成）或酰胺羧酸盐或酰亚胺，固态酰亚胺生成二酰胺，与固态内酯或碳酸盐生成固态反应。得到官能化的氨基甲酸酯，与聚碳酸酯得到降解的氨解，和与固体异硫氰酸酯得到硫脲。二酰胺通过固态热解或酸催化作用生成酰亚胺。据报道，各种双反应，两步反应，3级反应和顺序反应均处于固态而不熔化。在53个已报告的反应实例中，产率是定量的，并且在100％产率的反应中无需进行后处理（除了四次洗涤）。最初的三个固态反应但与液态产物的反应不是定量的。升至公斤级显示了该技术在大规模应用中的前景。原子力显微镜的超显微分析通过三步法中影响深远的各向异性分子运动阐明了固态机制。还使用AFM研究了聚碳酸酯的气固氨基分解酶。讨论了对可持续化学的影响。
• [EN] PYRROLOTRIAZINE COMPOUNDS AND METHODS OF INHIBITING TAM KINASES<br/>[FR] COMPOSÉS DE PYRROLOTRIAZINE ET PROCÉDÉS D'INHIBITION DE KINASES TAM
  申请人：SYROS PHARMACEUTICALS INC

  公开号：WO2019074962A1

  公开（公告）日：2019-04-18

  Described herein are compounds, methods of making such compounds, pharmaceutical compositions, and medicaments comprising such compounds, and methods of using such compounds to treat cancer. (II), or a pharmaceutically acceptable salt thereof, wherein: R1 is pyridin-3-yl, pyridin-4-yl, pyrazol-4-yl, cyclohexyl, or 8-azabicyclo[3.2.1]oct-2- ene-3-yl, wherein R1 is optionally substituted with up to four independently selected substituents; R2 is cyclohexyl substituted with hydroxy and optionally substituted with one or two additional substituents independently selected from C1-C4 alkyl and fluoro, or is 4,5,6,7- tetrahydro-lH-indazolyl optionally substituted with one to three substituents independently selected from C1-C4 alkyl and fluoro; and R3 is -C3-C8 alkyl, -(C2-C6 alkylene)-0-(C1-C6 alkyl), C3-C6 cycloalkyl, or -(C2-C6 alkylene)-C3-C6 cycloalkyl, wherein R3 is optionally substituted with 1-5 substituents inde endentl selected from deuterium, halo, and -OH.

  本文描述了化合物、制备这种化合物的方法、含有这种化合物的药物组合物和药物，以及使用这种化合物治疗癌症的方法。其中，R1为吡啶-3-基、吡啶-4-基、吡唑-4-基、环己基或8-氮杂双环[3.2.1]辛-2-烯-3-基，其中R1可选择性地与最多四个独立选择的取代基取代；R2为环己基，其与羟基取代，并可选择性地与一个或两个额外的独立选择的来自C1-C4烷基和氟的取代基取代，或者为4,5,6,7-四氢-1H-吲哚基，可选择性地与一个至三个独立选择的来自C1-C4烷基和氟的取代基取代；R3为-C3-C8烷基、-(C2-C6烷基)-O-(C1-C6烷基)、C3-C6环烷基或-(C2-C6烷基)-C3-C6环烷基，其中R3可选择性地与1-5个独立选择的氘、卤素和-OH取代。
• 一种苯并咪唑类有机化合物及其制备方法
  申请人：吉林奥来德光电材料股份有限公司

  公开号：CN112266389B

  公开（公告）日：2022-03-08

  本发明公开了一种苯并咪唑类有机化合物及其制备方法，属于半导体技术领域，本发明提供的化合物制备方法包括：1)将卤代二苯胺化合物A、醛类化合物B与焦亚硫酸钠依次加入到DMF溶液中，反应得到中间体C；2)将中间体C、化合物D与二(六氟锑酸)三乙腈(五甲基环戊二烯基)铑(III)依次加入至邻二氯乙烷中反应得到中间体E；3)将中间体E、化合物F、氯化钯和醋酸钾依次加入至1，4‑二氧六环中反应得到中间体G；4)将中间体G、化合物H、碳酸钾和四三苯基膦钯依次加入至溶剂中反应得到通式(1)。本发明提供的化合物能显著降低有机电致发光器件的驱动电压以及提高其发光效率和使用寿命，进而提高有机电致发光器件的实用性。
• 手性8-（3-氨基哌啶-1-基）-黄嘌呤的制备方 法
  申请人：博瑞生物医药（苏州）股份有限公司

  公开号：CN103450201B

  公开（公告）日：2017-04-12

  本发明涉及手性8‑（3‑氨基哌啶‑1‑基）‑黄嘌呤的制备方法：3‑氨基哌啶的氨基进行保护后，与1‑[3‑腈基‑吡啶‑2‑基]‑3‑甲基‑7‑（2‑丁炔‑1‑基）‑8‑溴黄嘌呤进行反应。本发明的制备方法反应收率高，保障了8‑（3‑氨基哌啶‑1‑基）‑黄嘌呤的纯度，适合工业化生产。

表征谱图