28804-90-2 ((Naphthalenecarboxylicacid, methyl ester)

快速询单

结构式：

Naphthalenecarboxylicacid, methyl esterMOL文件

CAS号：

28804-90-2

英文名称：

Naphthalenecarboxylicacid, methyl ester

分子式：

C₁₂H₁₀O₂

分子量：

186.206603527069

Naphthalenecarboxylicacid, methyl ester(28804-90-2)名称与标识符

名称

英文别名：

Naphthalenecarboxylicacid, methyl ester;methyl naphthoate;28804-90-2;SCHEMBL522791;N0615;EN300-341832;Methyl 1-naphthoate;CS-0138236;FT-0634297;1-Naphthoic Acid Methyl Ester;NSC23049;DTXSID901030976;1-Naphthoic acid, methyl ester;methyl naphthalene-1-carboxylate;D91749;2459-24-7;SY211689;NS00014376;InChI=1/C12H10O2/c1-14-12(13)11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3;methyl alpha-naphthoate;1-Naphthalenecarboxylic acid, methyl ester;EINECS 249-242-0;NSC-23049;1-Naphthalenecarboxylic acid methyl ester;Q63408692;AKOS008905557;naphthalene-1-carboxylic acid methyl ester;Methyl 1-naphthalenecarboxylate;CAA45924;MFCD00094243;1-(Methoxycarbonyl)naphthalene;HMRROBKAACRWBP-UHFFFAOYSA-;

标识符

InChIKey：

HMRROBKAACRWBP-UHFFFAOYSA-N

Inchi：

1S/C12H10O2/c1-14-12(13)11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3

SMILES：

O(C)C(C1C=CC=C2C=CC=CC2=1)=O

Naphthalenecarboxylicacid, methyl ester(28804-90-2)物化性质

实验特性

PSA : 26.3

计算特性

精确分子量 : 186.0681
氢键供体数量 : 0
氢键受体数量 : 2
可旋转化学键数量 : 2
同位素质量 : 186.068079557g/mol
重原子数量 : 14
复杂度 : 212
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） : 3.4
拓扑分子极性表面积 : 26.3Å²

Naphthalenecarboxylicacid, methyl ester(28804-90-2)相关文献

1. Regioselective carboannulation of electron-deficient allenes with dialkyl (2-formylphenyl)malonates leading to multisubstituted naphthalenes
Nagaraju Koppanathi,K. C. Kumara Swamy Org. Biomol. Chem. 2016 14 5079
2. Index of subjects
Annu. Rep. Prog. Chem. 1935 32 513
3. Computational studies on Ni-catalyzed amide C–N bond activation
Hongliang Wang,Shuo-Qing Zhang,Xin Hong Chem. Commun. 2019 55 11330
4. Design and synthesis of a DNA-crosslinking azinomycin analogue
Maxwell A. Casely-Hayford,Klaus Pors,Colin H. James,Laurence H. Patterson,John A. Hartley,Mark Searcey Org. Biomol. Chem. 2005 3 3585
5. The durene effect: unique properties of some substances derived from durene
Malcolm Crawford,F. H. C. Stewart Trans. Faraday Soc. 1953 49 752
6. Palladium-catalyzed C8–H arylation and annulation of 1-naphthalene carboxylic acid derivatives with aryl iodides
Min Zhang,Zhangyi Fu,Anping Luo,Xingwen Pu,Menglei Wang,Ying Huang,Yudong Yang,Jingsong You Org. Chem. Front. 2021 8 3274
7. Trifluoromethyl ketones: properties, preparation, and application
Christopher B. Kelly,Michael A. Mercadante,Nicholas E. Leadbeater Chem. Commun. 2013 49 11133
8. Expedient assembly of densely functionalized indanones via nickel-catalyzed alkene hydroacylation with methyl esters
Min Zeng,Fuli Huang,Minghui Zhu,Jichao Ding,Tong Qin,Maoting Xu,Wanqing Liu,Jun Lu,Jicheng Wu,Xurong Qin,Qiao Ren Org. Chem. Front. 2023 10 3067
9. Reactions of carbonyl compounds in basic solutions. Part V. The mechanism of the alkaline hydrolysis of methyl 8-(3- or 4-substituted benzoyl)-, 8-formyl-, and 8-pivaloyl-1-naphthoates and methyl 5-formylphenanthrene-4-carboxylate. Neighbouring-group participation by carbonyl groups
K. Bowden,A. M. Last J. Chem. Soc. Perkin Trans. 2 1973 345
10. Reactions of carbonyl compounds in basic solutions. Part V. The mechanism of the alkaline hydrolysis of methyl 8-(3- or 4-substituted benzoyl)-, 8-formyl-, and 8-pivaloyl-1-naphthoates and methyl 5-formylphenanthrene-4-carboxylate. Neighbouring-group participation by carbonyl groups
K. Bowden,A. M. Last J. Chem. Soc. Perkin Trans. 2 1973 345

99-36-5(间甲基苯甲酸甲酯) 1459-93-4(间苯二甲酸二甲酯) 1217-49-8(菲-9-甲酸甲酯) 99-75-2(对甲基甲酯) 1571-08-0(对甲酰基苯甲酸甲酯) 1679-64-7(对苯二甲酸单甲酯) 790667-68-4(4-(3-氨基苯氧基)哌啶-1-羧酸叔丁酯) 796857-60-8([3-AMINO-5-(TRIFLUOROMETHYL)PHENYL]BORONIC ACID)

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