90843-62-2 (6-羟基-5-甲氧基-1-茚酮,6-Hydroxy-5-methoxy-1-indanone)

快速询单

结构式：

6-羟基-5-甲氧基-1-茚酮MOL文件

CAS号：

90843-62-2

中文名称：

6-羟基-5-甲氧基-1-茚酮

英文名称：

6-Hydroxy-5-methoxy-1-indanone

分子式：

C₁₀H₁₀O₃

分子量：

178.184603214264

6-羟基-5-甲氧基-1-茚酮(90843-62-2)名称与标识符

名称

中文别名：

6-羟基-5-甲氧基-1-茚酮;6-羟基-5-甲氧基-2，3-二氢-1H-茚-1-酮;

英文别名：

1H-Inden-1-one,2,3-dihydro-6-hydroxy-5-methoxy-;6-Hydroxy-5-methoxy-1-indanone;6-hydroxy-5-methoxy-2,3-dihydroinden-1-one;5-methoxy-6-hydroxyindan-1-one;6-hydroxy-5-methoxy-2,3-dihydro-1H-inden-1-one;6-Hydroxy-5-methoxy-indan-1-on;6-hydroxy-5-methoxyindan-1-one;6-hydroxy-5-methoxyindanone;1-Indanone, 6-hydroxy-5-methoxy- (6CI, 7CI);2,3-Dihydro-6-hydroxy-5-methoxy-1H-inden-1-one (ACI);NSC 31250;AS-60308;AKOS000279837;NSC31250;BDBM50386066;SCHEMBL662848;EN300-188996;SY126437;CS-0036171;NSC-31250;6-hydroxy-5-methoxy-2,3-dihydro-inden-1-one;MFCD08694213;90843-62-2;6-Hydroxy-5-methoxy-indan-1-one;DTXSID30283405;CHEMBL2043047;FEUMSMHGLKFCLZ-UHFFFAOYSA-N;Z1198181226;1H-Inden-1-one, 2,3-dihydro-6-hydroxy-5-methoxy-;

标识符

MDL：

MFCD08694213

InChIKey：

FEUMSMHGLKFCLZ-UHFFFAOYSA-N

Inchi：

1S/C10H10O3/c1-13-10-4-6-2-3-8(11)7(6)5-9(10)12/h4-5,12H,2-3H2,1H3

SMILES：

O=C1CCC2C1=CC(=C(C=2)OC)O

6-羟基-5-甲氧基-1-茚酮(90843-62-2)物化性质

实验特性

LogP : 1.52970
PSA : 46.53000
折射率 : 1.601
沸点 : 378.7°Cat760mmHg
闪点 : 157.3°C
密度 : 1.296

计算特性

精确分子量 : 178.06300
氢键供体数量 : 1
氢键受体数量 : 1
可旋转化学键数量 : 1
同位素质量 : 178.063
重原子数量 : 13
复杂度 : 214
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） : 1.3
拓扑分子极性表面积 : 46.5A^2

6-羟基-5-甲氧基-1-茚酮(90843-62-2)推荐厂家更多厂家(8)

公司名称	手机号/电话	联系人	QQ	询单
上海源叶生物科技有限公司	15026964105 15026964105	汤思磊	2881489226	询单
深圳菲斯生物科技有限公司	18925202235	周美娇	2850179284	询单
湖北扬信医药科技有限公司	18071854684 0714-3999001	程舒畅	2885409691	询单
上海瀚思化工有限公司	18939883912 021-34536277	顾经理	3003949364	询单
江苏艾康生物医药研发有限公司	18795912720 025-66061636	杨情情	3004779232	询单
上海吉至生化科技有限公司	18117592386 021-57481218	吉至试剂	3007522982	询单
山东诚创蓝海医药科技有限公司	15662783880	李女士	1450209817	询单
山东诚创蓝海医药科技有限公司	15508676053 58897130	标准品	1450209817	询单

6-羟基-5-甲氧基-1-茚酮(90843-62-2)合成路线

合成路线：1 步

55417-34-0

_91%

90843-62-2

反应条件：

1.1 Reagents: Thionyl chloride ; 3 h, reflux
1.2 Reagents: Aluminum chloride Solvents: Dichloromethane ; reflux; 3 h, 0 - 5 °C
1.3 Reagents: Sodium hydroxide Solvents: Ethanol , Water ; overnight, reflux

参考文献：

Truxene discotic liquid crystals with two different ring substituents: synthesis, mesomorphism and high charged carrier mobility

Ni, Hai-Liang; Monobe, Hirosato; Hu, Ping; Wang, Bi-Qin; Shimizu, Yo; et al, Liquid Crystals, 2013, 40(3), 411-420

合成路线：1 步

1135-23-5

_91%

90843-62-2

反应条件：

1.1 Reagents: Hydrofluoric acid

参考文献：

Physiologically active indanamines. II. Compounds substituted in the aromatic ring

Heinzelmann, R. V.; Kolloff, H. G.; Hunter, James H., Journal of the American Chemical Society, 1948, 70, 1386-90

合成路线：1 步

1287783-86-1

_86%

90843-62-2

反应条件：

1.1 Reagents: Thionyl chloride Solvents: Dimethylformamide ; 0 °C; 24 h, rt
1.2 Reagents: Aluminum chloride Solvents: Dichloromethane ; 0 °C; 3 h, < 15 °C

参考文献：

Synthesis and mesomorphism of ether-ester mixed tail C3-symmetrical truxene discotic liquid crystals

Li, Li-Li; Hu, Ping; Wang, Bi-Qin; Yu, Wen-Hao; Shimizu, Yo; et al, Liquid Crystals, 2010, 37(5), 499-506

合成路线：1 步

2587156-37-2

_83%

90843-62-2

反应条件：

1.1 Catalysts: L-Proline Solvents: Acetic acid ; 24 h, 120 °C

参考文献：

A metal-free method for the facile synthesis of indanones via the intramolecular hydroacylation of 2-vinylbenzaldehyde

He, Guoxue; Ma, Jinyu; Zhou, Jianhui; Li, Chunpu; Liu, Hong; et al, Green Chemistry, 2021, 23(2), 1036-1040

合成路线：1 步

124702-80-3

74-88-4

_72%

90843-62-2

反应条件：

1.1 Reagents: Lithium carbonate (Li2CO3) Solvents: Dimethylformamide ; 55 °C

参考文献：

Cyanopyridyl containing 1,4-dihydroindeno[1,2-c]pyrazoles as potent checkpoint kinase 1 inhibitors: Improving oral bioavailability

Tong, Yunsong; Przytulinska, Magdalena; Tao, Zhi-Fu; Bouska, Jennifer; Stewart, Kent D.; et al, Bioorganic & Medicinal Chemistry Letters, 2007, 17(20), 5665-5670

合成路线：1 步

1135-24-6

_70%

90843-62-2

反应条件：

1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol ; 40 °C
1.2 Reagents: Methanesulfonic anhydride ; 120 °C

参考文献：

Synthesis, biological evaluation and mechanism study of a class of benzylideneindanone derivatives as novel anticancer agents

Hu, Jinhui; Yan, Jun; Chen, Jie; Pang, Yanqing; Huang, Ling; et al, MedChemComm, 2015, 6(7), 1318-1327

合成路线：1 步

1135-23-5

_70%

90843-62-2

反应条件：

1.1 Catalysts: Methanesulfonic acid ; 1 h, 120 °C

参考文献：

Design, synthesis, and evaluation of indanone derivatives as acetylcholinesterase inhibitors and metal-chelating agents

Meng, Fan-Chao; Mao, Fei; Shan, Wen-Jun; Qin, Fangfei; Huang, Ling; et al, Bioorganic & Medicinal Chemistry Letters, 2012, 22(13), 4462-4466

合成路线：1 步

124702-80-3

74-88-4

_68%

90843-62-2

反应条件：

1.1 Reagents: Lithium carbonate (Li2CO3) Solvents: Dimethylformamide

参考文献：

Synthesis and biological evaluation of 4'-(6,7-disubstituted-2,4-dihydro-indeno[1,2-c]pyrazol-3-yl)-biphenyl-4-ol as potent Chk1 inhibitors

Tao, Zhi-Fu; Li, Gaoquan; Tong, Yunsong; Chen, Zehan; Merta, Philip; et al, Bioorganic & Medicinal Chemistry Letters, 2007, 17(15), 4308-4315

合成路线：1 步

1135-23-5

_67%

90843-62-2

反应条件：

1.1 Reagents: Methanesulfonic acid ; 1 h, 120 °C; 120 °C → rt; 5 min, cooled

参考文献：

Combining chalcones with donepezil to inhibit both cholinesterases and Aβ fibril assembly

Chandrika, Nishad Thamban; Fosso, Marina Y.; Tsodikov, Oleg V.; Levine, Harry III; Garneau-Tsodikova, Sylvie, Molecules, 2020, 25(1),

合成路线：1 步

1135-23-5

_67%

90843-62-2

反应条件：

1.1 Reagents: Methanesulfonic acid ; 1 h, 120 °C; 120 °C → rt
1.2 Reagents: Water ; 5 min, cooled

参考文献：

Multifunctional donepezil analogues as cholinesterase and BACE1 inhibitors

Green, Keith D.; Fosso, Marina Y.; Garneau-Tsodikova, Sylvie, Molecules, 2018, 23(12), 3252/1-3252/22

合成路线：1 步

1135-23-5

_65%

90843-62-2

反应条件：

1.1 Reagents: Methanesulfonic acid ; 1 h, 120 °C

参考文献：

Discovery of indanone derivatives as multi-target-directed ligands against Alzheimer's disease

Huang, Ling; Miao, Hui; Sun, Yang; Meng, Fanchao; Li, Xingshu, European Journal of Medicinal Chemistry, 2014, 87, 429-439

合成路线：1 步

1135-23-5

_56%

90843-62-2

反应条件：

1.1 Reagents: Methanesulfonic acid ; rt → 90 °C

参考文献：

Design, synthesis, biological evaluation and structural characterization of novel GEBR library PDE4D inhibitors

Brullo, Chiara; Rapetti, Federica ; Abbate, Sara ; Prosdocimi, Tommaso; Torretta, Archimede ; et al, European Journal of Medicinal Chemistry, 2021, 223,

合成路线：1 步

479244-17-2

90843-62-2

反应条件：

1.1 Reagents: Carbon disulfide , Aluminum chloride ; rt

参考文献：

Kinetics-Driven Drug Design Strategy for Next-Generation Acetylcholinesterase Inhibitors to Clinical Candidate

Zhou, Yu ; Fu, Yan; Yin, Wanchao; Li, Jian; Wang, Wei; et al, Journal of Medicinal Chemistry, 2021, 64(4), 1844-1855

合成路线：1 步

55417-34-0

90843-62-2

反应条件：

1.1 Reagents: Thionyl chloride
1.2 Reagents: Aluminum chloride Solvents: Dichloromethane
1.3 Reagents: Sodium hydroxide Solvents: Ethanol , Water

参考文献：

Effect of methoxy groups on liquid crystalline and self-assembling properties of 2,7,12-tris(methoxy)-3,8,13-tris(alkoxy)-5,10,15-truxenones

Xu, Hong-Tian; Xia, Xue; Yu, Wen-Hao; Feng, Chun ; Xiang, Shi-Kai; et al, Liquid Crystals, 2021, 48(1), 111-120

合成路线：1 步

55417-34-0

90843-62-2

反应条件：

1.1 Reagents: Aluminum chloride , Thionyl chloride Solvents: Dichloromethane
1.2 Reagents: Sodium hydroxide Solvents: Ethanol , Water

参考文献：

The influence of alkyl chain substitution pattern on the two- and three-dimensional self-assembly of truxenone discogens

Ruan, Peng; Xiao, Bo; Ni, Hai-Liang; Hu, Ping; Wang, Bi-Qin; et al, Liquid Crystals, 2014, 41(8), 1152-1161

合成路线：1 步

124702-80-3

74-88-4

90843-62-2

反应条件：

1.1 Reagents: Lithium carbonate (Li2CO3) Solvents: Dimethylformamide ; 3 h, 55 °C

参考文献：

Multitarget-Directed Benzylideneindanone Derivatives: Anti-β-Amyloid (Aβ) Aggregation, Antioxidant, Metal Chelation, and Monoamine Oxidase B (MAO-B) Inhibition Properties against Alzheimer's Disease

Huang, Ling; Lu, Chuanjun; Sun, Yang; Mao, Fei; Luo, Zonghua; et al, Journal of Medicinal Chemistry, 2012, 55(19), 8483-8492