935-92-2 (2,3,5-三甲基苯醌,2,3,5-trimethylcyclohexa-2,5-diene-1,4-dione)

CAS号:
935-92-2
中文名称:
2,3,5-三甲基苯醌
英文名称:
2,3,5-trimethylcyclohexa-2,5-diene-1,4-dione
安全信息:
分子式:
C9H10O2
分子量:
150.174502849579

2,3,5-三甲基苯醌(935-92-2)名称与标识符

名称

中文别名:
2,3,5-三甲基苯醌;2,3,5-三甲基-2,5-环己二烯-1,4-二酮;2,3,5-三甲基环己-2,5-二烯-1,4-二酮;三甲基苯醌;三甲基对苯醌;2,3,5-三甲基-1,4-苯醌;2,3,6-三甲基对苯醌;
英文别名:
2,3,5-trimethyl-p-benzoquinone;2,3,5-Trimethylquinone;2,3,5-trimethylcyclohexa-2,5-diene-1,4-dione;TRIMETHYLQUINONE;2,3,5-Trimethyl-1,4-benzoquinone;2,3,5-trimethylbenzo-1,4-quinone;2,3,6-trimethyl-1,4-benzoquinone;2,3,6-trimethyl-p-benzoquinone;Cumoquinone;p-Pseudocumoquinone;Pseudocumoquinone;Trimethyl-1,4-benzoquinone;Trimethylbenzoquinone;Trimethyl-p-benzoquinone;Trimethyl-p-quinone;2,3,5-trimethyl-2,5-cyclohexadien-1,4-dione;2,5-Cyclohexadiene-1,4-dione, 2,3,5-trimethyl-;2,3,5-Trimethylbenzoquinone;2,3,6-Trimethylbenzoquinone;Trimethylchinon [German];2,3,5-Trimethyl-2,5-cyclohexadiene-1,4-dione (ACI);Benzoquinone, trimethyl- (6CI);p-Benzoquinone, 2,3,5-trimethyl- (8CI);p-Benzoquinone, trimethyl- (5CI);1,4-Cyclohexanedione, 2,3,5-trimethyl-;NSC 93919;ψ-Cumoquinone;EN300-159713;F16508;2,5-Trimethyl-1,4-benzoquinone;DB-057413;CHEMBL423039;AKOS000493633;W-109103;2,3,5-Trimethyl-[1,4]benzoquinone;p-Benzoquinone, 2,3,5-trimethyl-;2,5-Trimethylquinone;Trimethylchinon;2,4-dione, 2,3,5-trimethyl-;NSC-93919;BBL100342;InChI=1/C9H10O2/c1-5-4-8(10)6(2)7(3)9(5)11/h4H,1-3H;2,5-Cyclohexadien-1,4-dione, 2,3,5-trimethyl-;UNII-O26GU14U9E;Benzoquinone, trimethyl-;F3145-3278;Z57265388;2,6-Trimethyl-p-benzoquinone;O26GU14U9E;Pseudocomoquinone;Q27285228;.psi.-Cumoquinone;NSC93919;2,6-Trimethylbenzoquinone;2,5-Trimethyl-p-benzoquinone;p-Benzoquinone,3,5-trimethyl-;DS-3256;2,5-Trimethylbenzoquinone;T3768;EINECS 213-309-2;SCHEMBL22805;CS-0153133;935-92-2;2,3,5-trimethyl-2,5-cyclohexadiene-1,4-dione;STK040623;NS00039575;DTXSID5061320;MFCD00045537;SY115471;

标识符

MDL:
MFCD00045537
InChIKey:
QIXDHVDGPXBRRD-UHFFFAOYSA-N
Inchi:
1S/C9H10O2/c1-5-4-8(10)6(2)7(3)9(5)11/h4H,1-3H3
SMILES:
O=C1C(C)=C(C)C(=O)C(C)=C1

2,3,5-三甲基苯醌(935-92-2)物化性质

实验特性

  • LogP : 1.42090
  • PSA : 34.14000
  • 折射率 : 1.5470 (estimate)
  • 沸点 : 215°C(lit.)
  • 熔点 : No data available
  • 蒸气压 : 0.1±0.4 mmHg at 25°C
  • 闪点 : 77.3±17.4 °C
  • 最大波长(λmax) : 255(MeOH)(lit.)
  • 密度 : 0.9820 (rough estimate)

计算特性

  • 精确分子量 : 150.06800
  • 氢键供体数量 : 0
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 0
  • 同位素质量 : 150.06808
  • 重原子数量 : 11
  • 复杂度 : 293
  • 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) : 1.8
  • 互变异构体数量 : 18
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 34.1

2,3,5-三甲基苯醌(935-92-2)海关数据

海关编码:
2914690090
海关数据:

中国海关编码:

2914690090

概述:

2914690090 其他醌. 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%

Summary:

2914690090 other quinones。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

2,3,5-三甲基苯醌(935-92-2)生产方法和用途

用途:
维生素E醋酸酯的中间体。;
生产方法:
用1,2,4-三甲苯以浓硫酸磺化,生成2,4,5-三甲基苯磺酸,然后以硝酸钾及浓硫酸硝化,得2,4,5-三甲基-3,6-二硝酸苯磺酸钾,后者还原得2,3,5-三甲基对苯二胺二盐酸盐,进而以硫酸和重铬酸钠氧化制得该品。

2,3,5-三甲基苯醌(935-92-2)推荐厂家 更多厂家(44)

公司名称手机号/电话联系人QQ微信询单
湖北扬信医药科技有限公司 13092795037
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熊磊 3003473323
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苏州市森菲达化工有限公司 13862111431
0512-66387035
王婷婷询单
上海吉至生化科技有限公司 18117592386
021-57481218
吉至试剂 3007522982
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湖北方德新材料有限公司 18086096695邱经理 1462312301
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深圳菲斯生物科技有限公司 18925202235周美娇 2850179284
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山东玖玥生物科技有限公司 15553333686张文杰 643971
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湖北扬信医药科技有限公司 18071854684
0714-3999001
程舒畅 2885409691
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湖北诺纳科技有限公司 18995657604
027-59209883
吴经理 2933307129
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上海瀚思化工有限公司 18939883912
021-34536277
顾经理 3003949364
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上海一基实业有限公司 13311756131
021-60548336 QQ:2355265332 QQ:2851717387
胡经理 2355265332
询单

2,3,5-三甲基苯醌(935-92-2)合成路线

合成路线:1 步
反应条件:
参考文献:
A convenient synthesis of alkyl-substituted p-benzoquinones from phenols by a hydrogen peroxide/heteropoly acid system
Shimizu, Masao; Orita, Hideo; Hayakawa, Takashi; Takehira, Katsuomi, Tetrahedron Letters, 1989, 30(4), 471-4
合成路线:1 步
反应条件:
参考文献:
Direct Anodic Conversion of 4-Hydroxybenzaldehydes into Benzoquinones
Sprang, Fiona; Klein, Jana; Waldvogel, Siegfried R., ACS Sustainable Chemistry & Engineering, 2023, 11(20), 7755-7764
合成路线:1 步
反应条件:
参考文献:
Preparation of 2,3,5-trimethylcyclohexa-2,5-diene-1,4-dione
, China, , ,
合成路线:1 步
反应条件:
参考文献:
A Copper Cage-Complex as Mimic of the pMMO CuC Site
Bete, Sarah C.; May, Leander K.; Woite, Philipp; Roemelt, Michael; Otte, Matthias, Angewandte Chemie, 2022, 61(35),
合成路线:1 步
反应条件:
参考文献:
Preparation of 2,3,5-trimethyl-1,4-benzoquinone by oxygen oxidation
, China, , ,
合成路线:1 步
反应条件:
参考文献:
H2O2-based selective oxidations by divanadium-substituted polyoxotungstate supported on nitrogen-doped carbon nanomaterials
Evtushok, Vasiliy Yu. ; Podyacheva, Olga Yu.; Suboch, Arina N.; Maksimchuk, Nataliya V. ; Stonkus, Olga A. ; et al, Catalysis Today, 2020, 354, 196-203
合成路线:1 步
反应条件:
参考文献:
Poly[4-(diacetoxyiodo)styrene]
Taylor, Richard J. K.; Addie, Matthew S., e-EROS Encyclopedia of Reagents for Organic Synthesis, 2002, 1, 1-4
合成路线:1 步
反应条件:
参考文献:
Environmentally Benign Oxidation of Alkylphenols to p-Benzoquinones: A Comparative Study of Various Ti-Containing Catalysts
Kholdeeva, Oxana A.; Ivanchikova, Irina D.; Maksimchuk, Nataliya V.; Mel'gunov, Maxim S.; Chang, Jong-San; et al, Topics in Catalysis, 2014, 57(17-20), 1377-1384
合成路线:1 步
反应条件:
参考文献:
Cu2+-containing composites based on zirconia and powdered cellulose: effect of surface charge on their complexation and catalytic properties
Kovaleva, E. G.; Molochnikov, L. S.; Parshina, E. V.; Shishmakov, A. B.; Mikushina, Yu. V.; et al, Khimicheskaya Fizika, 2014, 33(6), 27-36
合成路线:1 步
反应条件:
参考文献:
Trimethyl-1,4-benzoquinone synthesis via 2,3,6-trimethylphenol catalytic oxidation by oxygen in the presence of non-Keggin-type Mo-V-phosphoric heteropoly acid solutions
Rodikova, Yulia Anatolievna; Zhizhina, Elena Georgievna, Journal of Chemistry and Chemical Engineering, 2013, 7(9), 808-820
合成路线:1 步
反应条件:
参考文献:
Microwave-Assisted Synthesis of Manganese Oxide Octahedral Molecular Sieve (OMS-2) Nanomaterials under Continuous Flow Conditions
Opembe, Naftali N.; King'ondu, Cecil K.; Espinal, Anais E.; Chen, Chun-Hu; Nyutu, Edward K.; et al, Journal of Physical Chemistry C, 2010, 114(34), 14417-14426
合成路线:1 步
反应条件:
参考文献:
An efficient catalytic oxidation of o-methylphenols with the Fenton's reagent
Li, Y.; Zhang, P.; Wu, M.; Liu, W.; Yi, Zh.; et al, Oxidation Communications, 2008, 31(3), 672-676
合成路线:1 步
反应条件:
参考文献:
Highly Selective Oxidation of Alkylphenols to Benzoquinones with Hydrogen Peroxide over Silica-Supported Titanium Catalysts: Titanium Cluster Site versus Titanium Single Site
Kholdeeva, Oxana A.; Ivanchikova, Irina D.; Guidotti, Matteo; Pirovano, Claudio; Ravasio, Nicoletta; et al, Advanced Synthesis & Catalysis, 2009, 351, 1877-1889
合成路线:1 步
反应条件:
参考文献:
Oxidation of phenolic compounds with organohypervalent iodine reagents
Moriarty, Robert M.; Prakash, Om, Organic Reactions (Hoboken, 2001, 57,
合成路线:1 步
反应条件:
参考文献:
Oxidation of 2,3,6-trimethylphenol with potassium peroxymonosulfate catalyzed by iron and cobalt phthalocyanine tetrasulfonates in a methanol-water mixture
Cimen, Yasemin; Tuerk, Hayrettin, Applied Catalysis, 2008, 340(1), 52-58
合成路线:1 步
反应条件:
参考文献:
Development of new and efficient polymer-supported hypervalent iodine reagents
Ficht, S.; Mulbaier, M.; Giannis, A., Tetrahedron, 2001, 57(23), 4863-4866
合成路线:1 步
反应条件:
参考文献:
Convenient preparation of quinones via the catalytic autoxidation of hydroquinones with nitrogen oxides
Rathore, Rajendra; Bosch, Eric; Kochi, Jay K., Tetrahedron Letters, 1994, 35(9), 1335-8
合成路线:1 步
反应条件:
参考文献:
Phenolic oxidations with phenyliodonium diacetate
Pelter, Andrew; Elgendy, Said M. A., Journal of the Chemical Society, 1993, (16), 1891-6
合成路线:1 步
反应条件:
参考文献:
Phenolic oxidation with (diacetoxyiodo)benzene
Pelter, Andrew; Elgendy, Said, Tetrahedron Letters, 1988, 29(6), 677-80
合成路线:1 步
反应条件:
参考文献:
Multiple electron oxidation of phenols by an oxo complex of ruthenium(IV)
Seok, Won K.; Meyer, Thomas J., Journal of the American Chemical Society, 1988, 110(22), 7358-67

2,3,5-三甲基苯醌(935-92-2)相关文献

2,3,5-三甲基苯醌(935-92-2)参考资料

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1908721
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