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4,4'-二甲氧基二苯甲酮 | 90-96-0

4,4'-二甲氧基二苯甲酮
4,4'-Dimethoxybenzophenone
90-96-0
C15H14O3
242.269864559174
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:4,4'-二甲氧基二苯甲酮结构式
7032
名称和标识符
MDL MFCD00008404
InChIKey RFVHVYKVRGKLNK-UHFFFAOYSA-N
Inchi 1S/C15H14O3/c1-17-13-7-3-11(4-8-13)15(16)12-5-9-14(18-2)10-6-12/h3-10H,1-2H3
SMILES O=C(C1C=CC(OC)=CC=1)C1C=CC(OC)=CC=1
BRN 1878026
别名信息
- 中文别名 -
  • 4,4'-二甲氧基二苯甲酮
  • 4,4'-双甲氧基苯并苯酮
  • 4,4’-二甲氧基二苯甲酮
  • 4,4'-二甲氧基二苯酮
  • 4,4 -二甲氧基苯甲酮
  • 4,4\'-二甲氧基二苯甲酮
  • 4,4'-Dimethoxybenzophenone 4,4'-二甲氧基二苯酮
  • 4,4''-二甲氧基二苯甲酮
  • 4,4-二甲氧基二苯甲酮
  • 4,4'-二甲氧基苯甲酮
  • 4,4-双甲氧基苯并苯酮
- 英文别名 -
  • Bis(4-methoxyphenyl)methanone
  • 4,4-Dimethoxy Benzophenone
  • 4,4'-Dimethoxybenzophenone
  • 4,4’-Dimethoxybenzophenone
  • 1,1-di(p-methoxyphenyl)-ketone
  • 4,4-Dimethoxybenzop
  • 4,4'-dimethoxy-benzophenone
  • Bis(4-anisyl) ketone
  • Bis(p-anisyl) ketone
  • Bis(p-methoxy)benzophenone
  • bis(p-methoxyphenyl)ketone
  • Di(4-methoxyphenyl) ketone
  • Di-p-anisyl ketone
  • di-para-methoxy benzophenone
  • Dmbp
  • P,P'-DIMETHOXYBENZOPHENONE
  • p-Methoxyphenyl ketone
  • Benzophenone,4,4'-dimethoxy- (6CI,8CI)
  • 4,4'-Bis(methoxy)benzophenone
  • Bis(4-methoxyphenyl) ketone
  • NSC 4191
  • Bis(p-methoxyphenyl) ketone
  • AE-641/00433002
  • CB05263
  • L10021
  • Oprea1_684330
  • XM6ZQ9ZM6E
  • Methanone, bis(4-methoxyphenyl)-
  • EN300-19467
  • SMSF0004338
  • Z104473938
  • Benzophenone, 4,4'-dimethoxy-
  • CBMicro_013731
  • DTXSID50237985
  • Cambridge id 5190802
  • CS-W014140
  • bis[4-(methyloxy)phenyl]methanone
  • NSC-4191
  • AMY11233
  • 4,4'-DIMETHOXYBENZOPHENONE-D8
  • 350818-55-2
  • PS-5307
  • EINECS 202-028-0
  • Benzophenone,4'-dimethoxy-
  • 4,4'-dimethoxybenzophenon
  • SR-01000198114-1
  • A843681
  • FT-0617067
  • W-100321
  • AI3-52342
  • 90-96-0
  • SY018217
  • F1905-7005
  • 4,4 inverted exclamation mark -Dimethoxybenzophenone
  • 4,4'-Dimethoxybenzophenone, 97%
  • BIM-0013460.P001
  • SCHEMBL51509
  • D0765
  • MFCD00008404
  • SR-01000198114
  • CHEMBL2413410
  • AKOS000118781
  • Bis-(4-methoxy-phenyl)-methanone
  • UNII-XM6ZQ9ZM6E
  • NSC4191
  • DMBP
  • p,p'-Dimethoxybenzophenone
  • Benzophenone, 4,4′-dimethoxy- (6CI, 8CI)
  • Bis(4-methoxyphenyl)methanone (ACI)
  • 4,4′-Bis(methoxy)benzophenone
  • 4,4′-Dimethoxybenzophenone
  • p,p′-Dimethoxybenzophenone
物化性质
实验特性
LogP 2.93480
PSA 35.53000
折射率 1.5570 (estimate)
水溶性 It is insoluble in water, soluble in ethanol.
沸点 200 °C17 mm Hg(lit.)
熔点 144.0 to 147.0 deg-C
闪点 182 °C
颜色与性状 白色粉末结晶
溶解性 未确定
密度 1.1515 (rough estimate)
计算特性
精确分子量 242.09400
氢键供体数量 0
氢键受体数量 3
可旋转化学键数量 4
同位素质量 242.094294
重原子数量 18
复杂度 235
同位素原子数量 0
确定原子立构中心数量 0
不确定原子立构中心数量 0
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP)
互变异构体数量
表面电荷 0
拓扑分子极性表面积 35.5
国际标准相关数据
EINECS 202-028-0
海关数据
海关编码 29145000
海关数据

中国海关编码:

2914509090

概述:

2914509090 含其他含氧基的酮. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:5.5% 普通关税:30.0%

申报要素:

品名, 成分含量, 用途, 丙酮报明包装

Summary:

HS:2914509090 other ketones with other oxygen function VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

合成路线

合成路线:1 步

反应条件:
参考文献:
Synthesis of Diaryl Ketones through Oxidative Cleavage of the C-C Double Bonds in N-Sulfonyl Enamides
Kim, Hyunseok; Park, Sangjune; Baek, Yonghyeon; Um, Kyusik; Han, Gi Uk; et al, Journal of Organic Chemistry, 2018, 83(7), 3486-3496

合成路线:1 步

反应条件:
参考文献:
Synthesis of Symmetrical Diaryl Ketones by Cobalt-Catalyzed Reaction of Arylzinc Reagents with Ethyl Chloroformate
Rerat, Alice; Michon, Christophe; Agbossou-Niedercorn, Francine; Gosmini, Corinne, European Journal of Organic Chemistry, 2016, 2016(26), 4554-4560

合成路线:1 步

反应条件:
参考文献:
A sodium trifluoromethanesulfinate-mediated photocatalytic strategy for aerobic oxidation of alcohols
Zhu, Xianjin; Liu, Can; Liu, Yong; Yang, Haijun; Fu, Hua, Chemical Communications (Cambridge, 2020, 56(82), 12443-12446

合成路线:1 步

反应条件:
参考文献:
Iron(III) nitrate-K10 montmorillonite clay
Cornelis, Andre; Laszlo, Pierre; Zettler, Mark W., e-EROS Encyclopedia of Reagents for Organic Synthesis, 2001, ,

合成路线:1 步

反应条件:
参考文献:
A Heck-type reaction involving carbon-heteroatom double bonds. Rhodium(I)-catalyzed coupling of aryl halides with N-pyrazyl aldimines
Ishiyama, Tatsuo; Hartwig, John, Journal of the American Chemical Society, 2000, 122(48), 12043-12044

合成路线:1 步

反应条件:
参考文献:
Novel and efficient bridged bis(N-heterocyclic carbene)palladium(II) catalysts for selective carbonylative Suzuki-Miyaura coupling reactions to biaryl ketones and biaryl diketones
Mansour, Waseem; Fettouhi, Mohammed; El Ali, Bassam, Applied Organometallic Chemistry, 2020, 34(6),

合成路线:1 步

反应条件:
参考文献:
Microwave-assisted solvent-free oxidation of hydrobenzoins, benzoins, and alcohols with NBS-Al2O3
Khurana, Jitender M.; Arora, Reema, ARKIVOC (Gainesville, 2008, (14), 211-215

合成路线:1 步

反应条件:
参考文献:
Photochemical Hydrogen Atom Transfer Catalysis for Dehydrogenation of Alcohols To Form Carbonyls
Yang, Xiaona; Guo, Yunfei; Tong, Hong'en; Guo, Hongyu; Liu, Rongfang; et al, Organic Letters, 2023, 25(29), 5486-5491

合成路线:1 步

反应条件:
参考文献:
Suzuki-Miyaura cross-coupling of amides and esters at room temperature: correlation with barriers to rotation around C-N and C-O bonds
Lei, Peng; Meng, Guangrong; Shi, Shicheng; Ling, Yun; An, Jie; et al, Chemical Science, 2017, 8(9), 6525-6530

合成路线:1 步

反应条件:
参考文献:
Chemical constitution and pharmacological activity of laxatives with special consideration of compounds with two p-hydroxyphenyl groups on one common carbon atom. III
Schultz, Otto Erich; Schnekenburger, Jorg, Archiv der Pharmazie und Berichte der Deutschen Pharmazeutischen Gesellschaft, 1958, 291, 356-61

合成路线:1 步

反应条件:
参考文献:
An efficient synthesis of diaryl ketones by iron-catalyzed arylation of aroyl cyanides
Duplais, Christophe; Bures, Filip; Sapountzis, Ioannis; Korn, Tobias J.; Cahiez, Gerard; et al, Angewandte Chemie, 2004, 43(22), 2968-2970

合成路线:1 步

反应条件:
参考文献:
Ruthenium-Catalyzed Dehydrogenation of Alcohols with Carbodiimide via a Hydrogen Transfer Mechanism
Sueki, Shunsuke ; Matsuyama, Mizuki; Watanabe, Azumi; Kanemaki, Arata; Katakawa, Kazuaki ; et al, European Journal of Organic Chemistry, 2020, 2020(31), 4878-4885

合成路线:1 步

反应条件:
参考文献:
Mobility of nitro groups in benzophenones and xanthones
Gorvin, John H., Chemistry & Industry (London, 1967, (36), 1525-6

合成路线:1 步

反应条件:
参考文献:
Scalable Aerobic Oxidation of Alcohols Using Catalytic DDQ/HNO3
Katsina, Tania; Clavier, Louis; Giffard, Jean-Francois; Macedo Portela da Silva, Nayane; Fournier, Jean; et al, Organic Process Research & Development, 2020, 24(5), 856-860

合成路线:1 步

反应条件:
参考文献:
Photolytic decarboxylation of α-aryl carboxylic acids mediated by HgF2 under a dioxygen atmosphere
Farhadi, Saeid; Zaringhadam, Parisa; Sahamieh, Reza Zarei, Tetrahedron Letters, 2006, 47(12), 1965-1968

合成路线:1 步

反应条件:
参考文献:
Palladium Nanoparticles Incorporated Thiazoline Functionalized Periodic Mesoporous Organosilica: Efficient Catalyst for Selective Hydrogenation & Csp2-Csp2 Bond Formation Reactions
Sudharsan, Murugesan; Subramanian, Saravanan; Amali, Arlin Jose; Suresh, Devarajan, ChemistrySelect, 2020, 5(20), 6131-6140
相关文献
专业数据库参考
PubChemId 7032
参考资料
Reaxys RN 1878026
Beilstein 8,317
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