93742-85-9 (5-氟-1-四氢萘酮,5-Fluoro-1-tetralone)

快速询单

结构式：

5-氟-1-四氢萘酮MOL文件

CAS号：

93742-85-9

中文名称：

5-氟-1-四氢萘酮

英文名称：

5-Fluoro-1-tetralone

分子式：

C₁₀H₉FO

分子量：

164.176266431808

5-氟-1-四氢萘酮(93742-85-9)名称与标识符

名称

中文别名：

5-氟-1-四氢萘酮;5-氟-3,4-二氢萘-1(2H)-酮;5-氟-a-四氢萘酮;5-氟-Α-四氢萘酮;

英文别名：

5-Fluoro-1-tetralone;1(2H)-Naphthalenone, 5-fluoro-3,4-dihydro-;5-fluoro-3,4-dihydro-2H-naphthalen-1-one;5-Fluoro-3,4-dihydronaphthalen-1(2H)-one;5-Fluoro-1,2,3,4-tetrahydro-1-naphthalenone;5-FLUORO-3,4-DIHYDRO-1(2H)-NAPHTHALENONE;5-Fluoro-alpha-Tetralone;2(1H)-Naphthalenone,5-fluoro-3,4-dihydro-(9CI);5-fluoro-3,4-dihydronaphthalen-1(2H)-one;5-Fluoro-3,4-dihydronaphthalen-1(2H)-one;BCP27913;SCHEMBL1151120;DTXSID80573267;AM9509;5-Fluorotetralin-1-one;DS-13063;5-FLUORO-1,2,3,4-TETRAHYDRONAPHTHALEN-1-ONE;MFCD08234371;AB43579;FT-0659852;5-fluorotetralone;ALVLPJZOYNSRRX-UHFFFAOYSA-N;A25860;AKOS006284988;5-Fluoro-alpha-Tetralone;EN300-128050;J-517496;AC-31624;CS-B0543;93742-85-9;5-Fluoro-3,4-dihydro-1(2H)-naphthalenone (ACI);SY042708;

标识符

MDL：

MFCD08234371

InChIKey：

ALVLPJZOYNSRRX-UHFFFAOYSA-N

Inchi：

1S/C10H9FO/c11-9-5-1-4-8-7(9)3-2-6-10(8)12/h1,4-5H,2-3,6H2

SMILES：

FC1=CC=CC2C(CCCC=21)=O

5-氟-1-四氢萘酮(93742-85-9)物化性质

实验特性

LogP : 2.34470
PSA : 17.07000
折射率 : 1.542
沸点 : 265.6℃ at 760 mmHg
闪点 : 265.6 °C at 760 mmHg
密度 : 1.198

计算特性

精确分子量 : 164.06400
氢键供体数量 : 0
氢键受体数量 : 1
可旋转化学键数量 : 0
同位素质量 : 164.063743068g/mol
重原子数量 : 12
复杂度 : 190
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） : 2.6
拓扑分子极性表面积 : 17.1Å²

5-氟-1-四氢萘酮(93742-85-9)海关数据

海关编码：

2914700090

海关数据：

中国海关编码：

2914700090

概述：

2914700090 其他酮及醌的卤化、磺化衍生物（包括硝化和亚硝化衍生物）. 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: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0%

5-氟-1-四氢萘酮(93742-85-9)推荐厂家更多厂家(24)

公司名称	手机号/电话	联系人	QQ	询单
深圳市瑞吉特生物科技有限公司	15813841136 0755-89459231	钦先生	1029374309	询单
上海绩祥生物科技有限公司	13093077543	陆经理	3985448220	询单
上海一基实业有限公司	13311756052 021-60526763 13311756052 13311756131	胡经理	2355265332	询单
上海一基实业有限公司	13311756131 021-60548336 QQ：2355265332 QQ:2851717387	胡经理	2355265332	询单
上海瀚思化工有限公司	18939883912 021-34536277	顾经理	3003949364	询单
武汉鑫伟烨化工有限公司	18502781673 027-18502781673	张经理	359501377	询单
上海腾准生物科技有限公司	19821570922 021-34053661	张经理	3003871136	询单
杰达维（上海）医药科技发展有限公司	13651849907 021-64340559	石小姐	3004189204	询单
金锦乐（湖南）化学有限公司		金锦乐	1226360695	询单
赫澎（上海）生物科技有限公司	13122891558 186-16545970	张硕	3418426269	询单

5-氟-1-四氢萘酮(93742-85-9)合成路线

合成路线：1 步

166251-26-9

_93%

93742-85-9

反应条件：

1.1 Reagents: Aluminum chloride Solvents: Carbon disulfide ; 30 min, -78 °C; 30 min, -78 °C → rt; 2 h, reflux

参考文献：

Preparation of indanylideneacetamides, naphthylideneacetamides, and benzopyranylideneacetamides as muscle relaxants.

, United States, , ,

合成路线：1 步

933692-34-3

_80%

93742-85-9

反应条件：

1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Acetic acid ; 90 °C; 90 °C

参考文献：

Synthesis of Novel Pterocarpen Analogues via [3 + 2] Coupling-Elimination Cascade of α,α-Dicyanoolefins with Quinone Monoimines

Chen, Hui; Zhao, Sihan; Cheng, Shaobing; Dai, Xingjie; Xu, Xiaoying; et al, Journal of Heterocyclic Chemistry, 2019, 56(5), 1672-1683

合成路线：1 步

143654-62-0

_79%

93742-85-9

反应条件：

1.1 Reagents: Methanesulfonic acid, mixt. with phosphorus oxide (P2O5) ; 1 h, rt → 50 °C

参考文献：

Preparation of substituted N-(spiro[indene-2,7'-quinazolin]-4'-yl)piperazines as Kras G12C inhibitors

, World Intellectual Property Organization, , ,

合成路线：1 步

925442-79-1

_69%

93742-85-9

反应条件：

1.1 Reagents: 2-Methyl-2-butene , Monosodium phosphate , Sodium hypochlorite Solvents: tert-Butanol , Water ; 4 h, rt
1.2 Reagents: Thionyl chloride ; 2 h, reflux
1.3 Reagents: Ammonium chloride Solvents: Dichloromethane ; 19 h, rt

参考文献：

Preparation of cercosporamide derivatives having hypoglycemic effect

, Japan, , ,

合成路线：1 步

143654-62-0

_55%

93742-85-9

反应条件：

1.1 Reagents: Methanesulfonic acid , Phosphorus pentoxide ; 0 °C; 16 h, rt

参考文献：

Enantioselective Halogenative Semi-Pinacol Rearrangement: Extension of Substrate Scope and Mechanistic Investigations

Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Pupier, Marion; Alexakis, Alexandre, Chemistry - A European Journal, 2015, 21(14), 5561-5583

合成路线：1 步

143654-62-0

_55%

93742-85-9

反应条件：

1.1 Reagents: Methanesulfonic acid , Phosphorus pentoxide ; 0 °C; 16 h, rt

参考文献：

Enantioselective Organocatalytic Fluorination-Induced Wagner-Meerwein Rearrangement

Romanov-Michailidis, Fedor; Guenee, Laure; Alexakis, Alexandre, Angewandte Chemie, 2013, 52(35), 9266-9270

合成路线：1 步

143654-62-0

_53%

93742-85-9

反应条件：

1.1 Reagents: Oxalyl chloride Catalysts: Dimethylformamide Solvents: Dichloromethane ; rt → 0 °C; 2 h, 0 °C
1.2 Reagents: Aluminum chloride ; 0 °C; overnight, 0 °C → rt
1.3 Reagents: Water ; cooled

参考文献：

Preparation of purinones and imidazopyridinones as JAK3 kinase inhibitors useful as immunosuppressants

, United States, , ,

合成路线：1 步

143654-62-0

_53%

93742-85-9

反应条件：

1.1 Reagents: Oxalyl chloride Catalysts: Dimethylformamide Solvents: Dichloromethane ; rt → 0 °C; 2 h, 0 °C
1.2 Reagents: Aluminum chloride ; 0 °C → rt; overnight, rt
1.3 Solvents: Water ; cooled

参考文献：

Preparation of 7-substituted purine derivatives as inhibitors of tyrosine kinase Jak3 for immunosuppression

, United States, , ,

合成路线：1 步

143654-62-0

_53%

93742-85-9

反应条件：

1.1 Reagents: Oxalyl chloride Catalysts: Dimethylformamide Solvents: Dichloromethane ; rt → 0 °C; 2 h, 0 °C
1.2 Reagents: Aluminum chloride ; 0 °C → rt; overnight, rt
1.3 Reagents: Water ; cooled

参考文献：

Preparation of 7-substituted purine derivatives as immunosuppressants

, World Intellectual Property Organization, , ,

合成路线：1 步

143654-62-0

_53%

93742-85-9

反应条件：

1.1 Reagents: Oxalyl chloride Catalysts: Dimethylformamide Solvents: Dichloromethane ; rt → 0 °C; 2 h, 0 °C
1.2 Reagents: Aluminum chloride ; overnight, 0 °C → rt
1.3 Reagents: Water ; cooled

参考文献：

Preparation of purine and imidazopyridine derivatives for immunosuppression

, World Intellectual Property Organization, , ,

合成路线：1 步

50919-06-7

108-59-8

_33%

93742-85-9

反应条件：

1.1 Reagents: Triethylamine , Methanesulfonyl chloride Solvents: Dichloromethane ; cooled; 30 min, cooled; rt
1.2 Reagents: Sodium hydride Solvents: Dimethylformamide ; cooled; 30 min, 50 °C; 50 °C → rt
1.3 Solvents: Dimethylformamide ; rt; 1 h, 150 °C; 150 °C → rt
1.4 Solvents: Water ; 1.5 h, 150 °C

参考文献：

Preparation of benzimidazole derivatives as ORL-1 receptor agonists for treatment of central nervous system diseases

, World Intellectual Property Organization, , ,

合成路线：1 步

36626-29-6

446-52-6

_31%

93742-85-9

反应条件：

1.1 Reagents: Sodium hydride Solvents: Dimethyl sulfoxide , Tetrahydrofuran ; 0 °C; 0 °C → rt; 20 h, rt; rt → 0 °C
1.2 Reagents: Water ; 0 °C
1.3 Reagents: Hydrochloric acid Solvents: Water ; pH 1 - 2
1.4 Reagents: Hydrogen Catalysts: Palladium Solvents: Ethanol ; 30 min, rt; 2 h, rt
1.5 2 h, rt → 90 °C
1.6 Reagents: Water Solvents: Dichloromethane ; cooled

参考文献：

Catalytic enantioselective synthesis of atropisomeric biaryls by a cation-directed O-alkylation

Jolliffe, John D.; Armstrong, Roly J.; Smith, Martin D., Nature Chemistry, 2017, 9(6), 558-562

合成路线：1 步

70631-88-8

93742-85-9

反应条件：

1.1 90 °C

参考文献：

Highly enantioselective [3+2] coupling of cyclic enamides with quinone monoimines promoted by a chiral phosphoric acid

Zhang, Minmin; Yu, Shuowen; Hu, Fangzhi; Liao, Yijun; Liao, Lihua; et al, Chemical Communications (Cambridge, 2016, 52(56), 8757-8760

合成路线：1 步

143654-62-0

93742-85-9

反应条件：

1.1 Reagents: Thionyl chloride Catalysts: Dimethylformamide Solvents: Benzene ; 2 h, reflux
1.2 Reagents: Aluminum chloride Solvents: Dichloromethane ; 30 min, -10 °C
1.3 Reagents: Water ; cooled

参考文献：

Preparation of substituted aromatic carboxamide and urea derivatives as vanilloid receptor ligands for the treatment of pain

, World Intellectual Property Organization, , ,

合成路线：1 步

143654-61-9

93742-85-9

反应条件：

1.1 Reagents: Potassium hydroxide Solvents: Ethanol ; 14 h, reflux; reflux → rt
1.2 Reagents: Hydrochloric acid Solvents: Water ; acidified
1.3 Reagents: Thionyl chloride Solvents: Benzene ; 4 h, reflux; reflux → rt
1.4 Reagents: Aluminum chloride Solvents: Dichloromethane ; rt → 0 °C; 14 h, 0 °C
1.5 Reagents: Hydrochloric acid Solvents: Water

参考文献：

Preparation of substituted fluoroethylcyano guanidines as therapeutic α2 adrenergic agents

, United States, , ,

合成路线：1 步

143654-61-9

93742-85-9

反应条件：

参考文献：

Preparation of substituted fluoroethyl ureas as alpha 2 adrenergic agents

, United States, , ,

合成路线：1 步

41823-28-3

93742-85-9

反应条件：

1.1 Reagents: Sodium nitrite , Hydrochloric acid , Sodium tetrafluoroborate Solvents: Water ; < 5 °C; 40 min, 0 °C; 0 °C → -10 °C; 15 min, -10 °C
1.2 Solvents: Toluene ; 1 h, reflux

参考文献：

Preparation of heterocycle-substituted N-benzoxazinylpropanamides as glucocorticoid receptor binders and agonists for the treatment of inflammatory, allergic and skin diseases

, World Intellectual Property Organization, , ,

合成路线：1 步

93742-85-9

参考文献：

Preparation of cercosporamide derivatives having hypoglycemic effect

, World Intellectual Property Organization, , ,

合成路线：1 步

93742-85-9

参考文献：

Preparation of indan-1-ylideneacetamides and analogs as muscle relaxants

, World Intellectual Property Organization, , ,