16108-51-3 (2 6-二甲基色酮,4H-1-Benzopyran-4-one,2,6-dimethyl-)

快速询单

结构式：

2 6-二甲基色酮MOL文件

CAS号：

16108-51-3

中文名称：

2 6-二甲基色酮

英文名称：

4H-1-Benzopyran-4-one,2,6-dimethyl-

分子式：

C₁₁H₁₀O₂

分子量：

174.195903301239

2 6-二甲基色酮(16108-51-3)名称与标识符

名称

中文别名：

2 6-二甲基色酮;

英文别名：

4H-1-Benzopyran-4-one,2,6-dimethyl-;2 6-DIMETHYLCHROMONE;2,6-dimethylchromen-4-one;2,6-dimethyl-2-chromen-4-one;2,6-DIMETHYL-4H-CHROMEN-4-ONE;2,6-Dimethyl-chromen-4-on;2,6-dimethyl-chromen-4-one;2.6-Dimethyl-chromon;2-methyl-6-methyl-4H-chromen-4-one;SCHEMBL266614;SY310915;MFCD00024069;2,6-Dimethylchromone;DTXSID20350352;AKOS006272044;FT-0637317;16108-51-3;2,6-Dimethyl-4H-1-benzopyran-4-one;

标识符

InChIKey：

ICLIZHYTACTNJW-UHFFFAOYSA-N

Inchi：

1S/C11H10O2/c1-7-3-4-11-9(5-7)10(12)6-8(2)13-11/h3-6H,1-2H3

SMILES：

O1C(C)=CC(C2C=C(C)C=CC1=2)=O

2 6-二甲基色酮(16108-51-3)物化性质

实验特性

LogP : 2.40980
PSA : 30.21000

计算特性

精确分子量 : 174.06800
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 : 174.068079557g/mol
重原子数量 : 13
复杂度 : 255
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） : 2.7
拓扑分子极性表面积 : 26.3Å²

2 6-二甲基色酮(16108-51-3)海关数据

海关编码：

2914190090

海关数据：

中国海关编码：

2914190090

概述：

2914190090 其他不含其他含氧基的无环酮。监管条件:无。增值税率:17.0%。退税率:9.0%。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：

2914190090 other acyclic ketones without other oxygen function。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

2 6-二甲基色酮(16108-51-3)相关文献

1. Kinetic and thermodynamic control in the lithiation of 2,6-dimethylchromone, and selective lithiations in 2-(x-furyl)chromones and in furanochromones related to khellin
Anna M. B. S. R. C. S. Costa,Francis M. Dean,Michael A. Jones,Dennis A. Smith J. Chem. Soc. Perkin Trans. 1 1986 1707
2. β-Deprotonation by lithium di-isopropylamide. Vinyl carbanions from oxygen heterocycles in the synthesis of carboxylic acids in the benzofuran, flavone, and coumarin series and in the regiospecific acylation of 2,6-dimethylchromone
Ana M. B. S. R. C. S. Costa,Francis M. Dean,Michael A. Jones,Dennis A. Smith,Rajender S. Varma J. Chem. Soc. Chem. Commun. 1980 1224
3. Three syntheses of 3,8-dimethyl-1H-pyrano[4,3-b][1]benzopyran-10-one, a model for the synthesis of the fungal metabolite, fulvic acid
Francis M. Dean,Mohammad Al-Sattar,Dennis A. Smith J. Chem. Soc. Chem. Commun. 1983 535
4. 322. Molecular rearrangement of some o-acyloxyacetophenones and the mechanism of the production of 3-acylchromones
Wilson Baker J. Chem. Soc. 1933 1381
5. 455. Properties and orientation of some derivatives of 3-acylchromones
Wilson Baker,V. S. Butt J. Chem. Soc. 1949 2142
6. Chaetosemins A–E, new chromones isolated from an Ascomycete Chaetomium seminudum and their biological activities
He Li,Jun-Mian Tian,Hao-Yu Tang,Shi-Yin Pan,An-Ling Zhang,Jin-Ming Gao RSC Adv. 2015 5 29185
7. 5. A new chromone synthesis
B. B. Millward J. Chem. Soc. 1960 26
8. Synthesis of sordidone and thiophanic acid, two chlorine-containing lichen metabolites
M. Arshad,J. P. Devlin,W. D. Ollis J. Chem. Soc. C 1971 1324
9. Index pages
J. Chem. Soc. Perkin Trans. 1 1986 A003
10. CCCI.—The action of sodium on the acetates of o- and p-cresol
Richard Isaac Edward Hall J. Chem. Soc. Trans. 1924 125 2266