2,3,3,4-四甲氧基二苯甲酮 | 50625-53-1

• 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: 2,3,3,4-四甲氧基二苯甲酮
• 中文别名: 2,3,3',4'-四甲氧基二苯甲酮
• 英文名称: (2,3-dimethoxyphenyl)(3,4-dimethoxyphenyl)methanone
• 英文别名: 2,3,3',4'-Tetramethoxy-benzophenon；2,3,3',4'-Tetramethoxybenzophenone；(2,3-dimethoxyphenyl)-(3,4-dimethoxyphenyl)methanone
• CAS: 50625-53-1
• 化学式: C₁₇H₁₈O₅
• mdl: MFCD00008359
• 分子量: 302.327
• InChiKey: ZZMLFJJROAGMSL-UHFFFAOYSA-N

物化性质

• 熔点：
  118-120 °C
• 沸点：
  403.36°C (rough estimate)
• 密度：
  1.2101 (rough estimate)
• 稳定性/保质期：
  遵照规定使用和储存，则不会分解。

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  22
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.235
• 拓扑面积：
  54
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 安全说明：
  S24/25
• 海关编码：
  2914509090
• 储存条件：
  存于阴凉干燥处。

SDS

Name:	2 3 3 4 -Tetramethoxybenzophenone 98% Material Safety Data Sheet
Synonym:	None
CAS:	50625-53-1

Section 1 - Chemical Product MSDS Name:2 3 3 4 -Tetramethoxybenzophenone 98% Material Safety Data Sheet
Synonym:None

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
50625-53-1	2,3,3',4'-Tetramethoxybenzophenone	98.0	256-662-8

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation.
Chronic:
No information found.

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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. Wash clothing before reuse.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid.
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:
Antidote: None reported.

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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 agent most appropriate to extinguish fire.

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

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Use with adequate ventilation.
Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing.
Keep container tightly closed. Wash clothing before reuse.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 50625-53-1: 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.

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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: 108 - 111 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: C17H18O5
Molecular Weight: 302.32

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stability unknown.
Conditions to Avoid:
Incompatible materials, dust generation.
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# 50625-53-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2,3,3',4'-Tetramethoxybenzophenone - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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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# 50625-53-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 50625-53-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 50625-53-1 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：

  2,3,3,4-四甲氧基二苯甲酮 在 sodium tetrahydroborate 、 sodium azide 、 氯仿 、 palladium on activated charcoal 、 氢气 、 三乙胺 、 sodium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 73.5h， 生成 N-((2,3-dimethoxyphenyl)(3,4-dimethoxyphenyl)methyl)methanesulfonamide
  参考文献：
  名称：

  新型苄胺衍生物的合成及其碳酸酐酶同工酶I和II的抑制作用。

  摘要：

  研究了新型二芳基甲胺22-25和磺酰胺衍生物26-28的合成及其碳酸酐酶抑制性能。甲氧基取代的苯与苯羧酸的酰化，NaBH4还原酮，醇转化为叠氮化物，Pd-C催化的叠氮化物氢化得到标题化合物22-25。用MeSO 2 Cl将化合物22、24和25转化为磺酰胺衍生物26-28。测试了新型苄胺衍生物22-28对人碳酸酐酶（hCA，EC 4.2.1.1）同工酶hCA I和II的抑制作用。结果表明，发现化合物28是对hCA I（Ki：3.68 µM）和hCA II（Ki：9.23 µM）的最佳抑制剂。

  DOI：

  10.3109/14756366.2012.763163
• 作为产物：
  描述：

  邻苯二甲醚 、 2,3-二甲氧基苯甲酸 在 polyphosphoric acid 作用下， 反应 1.0h， 生成 2,3,3,4-四甲氧基二苯甲酮
  参考文献：
  名称：

  新型苄胺衍生物的合成及其碳酸酐酶同工酶I和II的抑制作用。

  摘要：

  研究了新型二芳基甲胺22-25和磺酰胺衍生物26-28的合成及其碳酸酐酶抑制性能。甲氧基取代的苯与苯羧酸的酰化，NaBH4还原酮，醇转化为叠氮化物，Pd-C催化的叠氮化物氢化得到标题化合物22-25。用MeSO 2 Cl将化合物22、24和25转化为磺酰胺衍生物26-28。测试了新型苄胺衍生物22-28对人碳酸酐酶（hCA，EC 4.2.1.1）同工酶hCA I和II的抑制作用。结果表明，发现化合物28是对hCA I（Ki：3.68 µM）和hCA II（Ki：9.23 µM）的最佳抑制剂。

  DOI：

  10.3109/14756366.2012.763163

文献信息

• POLYMERIZABLE COMPOSITION FOR OPTICAL MATERIAL, AND OPTICAL MATERIAL AND PLASTIC LENS OBTAINED FROM SAME
  申请人：Mitsui Chemicals, Inc.

  公开号：EP3381951A1

  公开（公告）日：2018-10-03

  A polymerizable composition for an optical material of the present invention includes a compound (A) represented by General Formula (1) including two or more allyloxycarbonyl groups; an ultraviolet absorbing agent (B) represented by General Formula (i) ; at least one kind of radical polymerization initiator (C) selected from the group consisting of a peroxyketal-based radical polymerization initiator, a peroxymonocarbonate-based radical polymerization initiator, and a peroxyester-based radical polymerization initiator; at least one kind of dye (D) selected from an anthraquinone-based dye, a perinone-based dye, a monoazo-based dye, a diazo-based dye, and a phthalocyanine-based dye.

  本发明光学材料的可聚合组合物包括通式(1)代表的化合物(A)，其中包括两个或两个以上的烯丙氧羰基；通式(i)代表的紫外线吸收剂(B)；至少一种自由基聚合引发剂 (C)，选自过氧酮基自由基聚合引发剂、过氧一碳酸酯基自由基聚合引发剂和过氧酯基自由基聚合引发剂组成的组； 至少一种染料 (D)，选自蒽醌基染料、过醌基染料、单偶氮基染料、重氮基染料和酞菁基染料。
• POLYMERIZABLE COMPOSITION FOR OPTICAL MATERIAL, MOLDED BODY, OPTICAL MATERIAL, PLASTIC LENS, AND PRODUCTION METHOD FOR PLASTIC LENS
  申请人：Mitsui Chemicals, Inc.

  公开号：EP3722335A1

  公开（公告）日：2020-10-14

  A polymerizable composition for an optical material, comprising: an allyl carbonate compound (A) including two or more allyloxycarbonyl groups at a terminal which is represented by General Formula (1); and a radical polymerization initiator (B), wherein the radical polymerization initiator (B) includes at least one kind of radical polymerization initiator (B1) which is a peroxyester-based radical polymerization initiator in which a radical residual ratio after 5 hours at 50°C is 10% or more and 90% or less, and which has an alkyl group having 5 or more carbon atoms and including a tertiary carbon atom directly connected to an O-O bond, and a radical polymerization initiator (B2) in which a residual radical ratio after 5 hours at 95°C is 10% or more and 90% or less and which is at least one kind selected from the group consisting of a peroxyester-based radical polymerization initiator, a peroxyketal-based radical polymerization initiator, and a peroxymonocarbonate-based radical polymerization initiator.

  一种用于光学材料的可聚合组合物，包括：碳酸烯丙酯化合物（A），其末端含有两个或两个以上的烯丙氧羰基，通式（1）表示该化合物；以及自由基聚合引发剂（B）、 其中自由基聚合引发剂（B）包括 至少一种自由基聚合引发剂 (B1)，它是一种过氧化酯基自由基聚合引发剂，在 50°C 下 5 小时后自由基残留率为 10% 或以上，90% 或以下，它具有一个具有 5 个或更多碳原子的烷基，包括一个直接与 O-O 键连接的叔碳原子，以及 一种自由基聚合引发剂 (B2)，其在 95°C 下 5 小时后的自由基残留率为 10% 或以上，90% 或以下，且至少是一种选自由基聚合引发剂，选自由基聚合引发剂包括：过氧化酯类自由基聚合引发剂、过氧化酮类自由基聚合引发剂和过一碳酸酯类自由基聚合引发剂。
• POLYMERIZABLE COMPOSITION FOR OPTICAL MATERIAL, AND MOLDED ARTICLE
  申请人：Mitsui Chemicals, Inc.

  公开号：EP3722840A1

  公开（公告）日：2020-10-14

  The polymerizable composition for an optical material of the present invention includes an allyl carbonate compound (A) including two or more allyloxycarbonyl groups which is represented by General Formula (1); a (meth)acrylate compound (B) including two or more (meth)acryl groups which is represented by General Formula (2); at least one kind of compound (C), selected from compounds represented by General Formulas (3) to (6) and dyes described below; and a polymerization initiator (D) including at least a radical polymerization initiator (D1) and a radical polymerization initiator (D2), in which, in 100% by weight in a total of the compound (A) and the compound (B), the compound (A) is included in an amount of more than 0% by weight and 30% by weight or less and the compound (B) is included in an amount of 70% by weight or more and less than 100% by weight, the radical polymerization initiator (D1) has a radical residual ratio after 5 hours at 50°C of 20% or more and less than 100% and a radical residual ratio after 5 hours at 70°C of 0% or more and less than 30%, and the radical polymerization initiator (D2) has a radical residual ratio after 5 hours at 70°C of 30% or more and less than 98%.

  本发明光学材料的可聚合组合物包括通式(1)表示的包括两个或两个以上烯丙氧羰基的碳酸烯丙酯化合物(A)；通式(2)表示的包括两个或两个以上(甲基)丙烯酰基的(甲基)丙烯酸酯化合物(B)；至少一种化合物(C)，选自通式(3)至(6)表示的化合物和下述染料；和聚合引发剂 (D)，至少包括自由基聚合引发剂 (D1) 和自由基聚合引发剂 (D2)，其中化合物 (A) 和化合物 (B) 的总重量为 100%，化合物 (A) 的含量大于 0%（以重量计）且小于 30%（以重量计），化合物 (B) 的含量大于 70%（以重量计）且小于 100%（以重量计）、自由基聚合引发剂（D1）在 50°C 下 5 小时后的自由基残留率为 20%或以上且小于 100%，在 70°C 下 5 小时后的自由基残留率为 0%或以上且小于 30%，自由基聚合引发剂（D2）在 70°C 下 5 小时后的自由基残留率为 30%或以上且小于 98%。
• Polymerizable composition for optical material and optical material and plastic lens obtained from same composition
  申请人：Mitsui Chemicals, Inc.

  公开号：US10723862B2

  公开（公告）日：2020-07-28

  A polymerizable composition for an optical material of the present invention includes a compound (A) represented by General Formula (1) including two or more allyloxycarbonyl groups; an ultraviolet absorbing agent (B) represented by General Formula (i); at least one kind of radical polymerization initiator (C) selected from the group consisting of a peroxyketal-based radical polymerization initiator, a peroxymonocarbonate-based radical polymerization initiator, and a peroxyester-based radical polymerization initiator; at least one kind of dye (D) selected from an anthraquinone-based dye, a perinone-based dye, a monoazo-based dye, a diazo-based dye, and a phthalocyanine-based dye.

  本发明光学材料的可聚合组合物包括通式(1)代表的化合物(A)，其中包括两个或两个以上的烯丙氧羰基；通式(i)代表的紫外线吸收剂(B)；至少一种自由基聚合引发剂 (C)，选自过氧酮基自由基聚合引发剂、过氧一碳酸酯基自由基聚合引发剂和过氧酯基自由基聚合引发剂组成的组； 至少一种染料 (D)，选自蒽醌基染料、过醌基染料、单偶氮基染料、重氮基染料和酞菁基染料。
• Synthesis and paroxonase activities of novel bromophenols
  作者：Yusuf Akbaba、Cüneyt Türkeş、Leyla Polat、Hakan Söyüt、Ertan Şahin、Abdullah Menzek、Süleyman Göksu、Şükrü Beydemir

  DOI：10.3109/14756366.2012.715287

  日期：2013.10.1

  Three novel bromophenols 10-12 were synthesized. Acylation of veratrole (4) with 2,3-dimethoxy benzoic acid (5) gave a kown diarylmethanone 6. Bromination of 6 with different equivalents of molecular bromine afforded new di and tribrominated compounds 7-9 which were converted to their corresponding bromophenols 10-12 via O-demethylation with BBr3. Paraoxonase-1 (PON1) was purified from human serum with approximately 42% and 3584 U x mg(-1) specific activity. The synthesized compounds 6-12 showed inhibitory effects on paraoxonase-1 (PON1) which is an organophosphate (OP) hydrolyser and an antioxidant bioscavenger enzyme. IC50 values were determined in the range of 0.123-1.212 mM.[GRAPHICS].