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5-Hydroxythionaphthene, also known as 5-HTN, is a chemical compound belonging to the thionaphthene family, characterized by a molecular formula of C11H8OS. It is a heterocyclic aromatic compound that contains a sulfur atom, and it appears as a yellow crystalline solid. 5-HTN is insoluble in water but is soluble in organic solvents. 5-Hydroxythionaphthene is recognized for its potential as an intermediate in the synthesis of pharmaceuticals and agrochemicals, and it has been studied for its biological activities, such as antioxidant and anti-inflammatory properties. Due to its potential hazards as a chemical irritant, it is crucial to handle and store 5-HTN in a well-ventilated area with proper personal protective equipment.

19301-35-0

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19301-35-0 Usage

Uses

Used in Pharmaceutical Industry:
5-Hydroxythionaphthene is used as an intermediate in the synthesis of various pharmaceuticals for its potential role in developing new drugs. Its unique chemical structure allows it to be a key component in the creation of therapeutic agents.
Used in Agrochemical Industry:
In the agrochemical industry, 5-Hydroxythionaphthene serves as an intermediate in the synthesis of agrochemicals, contributing to the development of products that can enhance crop protection and management.
Used in Biological Research:
5-Hydroxythionaphthene is utilized in biological research as a compound of interest for its antioxidant and anti-inflammatory properties. These studies aim to explore its potential applications in medicine and healthcare, possibly leading to new treatments or preventive measures for various conditions.
Used in Chemical Synthesis:
As a chemical intermediate, 5-Hydroxythionaphthene is used in the synthesis of other organic compounds, expanding its applications across different chemical and industrial processes.

Check Digit Verification of cas no

The CAS Registry Mumber 19301-35-0 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,9,3,0 and 1 respectively; the second part has 2 digits, 3 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 19301-35:
(7*1)+(6*9)+(5*3)+(4*0)+(3*1)+(2*3)+(1*5)=90
90 % 10 = 0
So 19301-35-0 is a valid CAS Registry Number.

19301-35-0SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-benzothiophen-5-ol

1.2 Other means of identification

Product number -
Other names 5-hydroxybenzothiophene

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:19301-35-0 SDS

19301-35-0Relevant academic research and scientific papers

Synthesis of new 5-substitutedbenzo[b]thiophene derivatives

Perez-Silanes,Martinez-Esparza,Oficialdegui,Villanueva,Orus,Monge

, p. 1025 - 1030 (2001)

Previous works of our group have dealt with the synthesis of 1-(aryl)-3-[4-(aryl)piperazin-1-yl]propane derivatives in the search for new and efficient antidepressants with a dual mode of action: serotonin reuptake inhibition and 5-HT1A receptor afinity [1-4]. From these studies we concluded that the 3-[4-(aryl)piperazin-1-yl]-l-(benzo[b]thiophen-3-yl)propane derivatives led to the best results. The continuation of this research project required the preparation of some new 3-acyl-5-substituted benzo[b]thiophenes with a wide variety of substituents at the 5 position, ranging from nitro to hydroxyl derivatives. To obtain these derivatives we acylated the corresponding 5-substituted benzo[b]thiophenes when it was possible.

The synthesis of 5-hydroxy-2,3-dihydrobenzo(B)thiophene (1) via an efficient one step preparation of 5-nitro-benzo(B) thiophene-2-carboxylate (3A)

Zambias,Hammond

, p. 959 - 964 (1991)

The preparation of 5-hydroxy-2,3-dihydrobenzothiophene 1 from 5-nitro-benzothiophene-2-carboxylate 3a is described along with an efficient one pot synthesis of 3a.

Synthesis and studies on spectroscopic as well as electron donating properties of the two alkoxy benzo[b]thiophenes

Misra,Ganguly,Kamila,Basu,De

, p. 2795 - 2808 (2001)

Synthesis, characterization, steady state and time resolved, using time correlated single photon counting as well as laser flash photolysis techniques, spectroscopic investigations were made for two alkoxy benzo[b]thiophene molecules: 5-methoxy benzo[b]thiophene (5MBT) and 5-methoxymethyl benzo[b]thiophene (5MMBT). In both non-polar n-heptane (NH) and polar acetonitrile (ACN) solvents and at ambient temperature the electronic absorption spectra of these thiophenes exhibit different band systems whose assignments were made from the measurements of the steady state excitation polarization spectra. Steady state fluorescence spectra of these molecules in the different polarity solvents show the presence of non-specific interactions. From the redox properties of the benzothiophenes, measured by cyclic voltammetry, their electron donating properties were observed in the presence of the well-known electron acceptor 9cyanoanthracene (9CNA). Further, detailed studies by laser flash photolysis techniques show that ion-recombination mechanism predominates after the initial excitation of the acceptor moiety using the third harmonic of Nd:YAG laser. This recombination together with the external heavy atom effect (the donor containing 'sulphur' atom) appears to be responsible for the formation of the triplet of the monomeric acceptor 9CNA. From the steady state experiments it is shown that both in non-polar NH and highly polar ACN the quenching in the fluorescence emission of 9CNA in the presence of the benzothiophene donors is brought about primarily by the external heavy atom effect and in ACN, although the presence of the photoinduced ET reaction is confirmed, this process seems, from the observed bimolecular dynamic quenching rate, kq, to be significantly masked by the external heavy atom effect.

Biocatalytic Cross-Coupling of Aryl Halides with a Genetically Engineered Photosensitizer Artificial Dehalogenase

Fu, Yu,Huang, Jian,Wu, Yuzhou,Liu, Xiaohong,Zhong, Fangrui,Wang, Jiangyun

supporting information, p. 617 - 622 (2021/02/03)

Devising artificial photoenzymes for abiological bond-forming reactions is of high synthetic value but also a tremendous challenge. Disclosed herein is the first photobiocatalytic cross-coupling of aryl halides enabled by a designer artificial dehalogenase, which features a genetically encoded benzophenone chromophore and site-specifically modified synthetic NiII(bpy) cofactor with tunable proximity to streamline the dual catalysis. Transient absorption studies suggest the likelihood of energy transfer activation in the elementary organometallic event. This design strategy is viable to significantly expand the catalytic repertoire of artificial photoenzymes for useful organic transformations.

Palladium-Catalyzed Hydroxylation of Aryl Halides with Boric Acid

Song, Zhi-Qiang,Wang, Dong-Hui

supporting information, p. 8470 - 8474 (2020/11/18)

Boric acid, B(OH)3, is proved to be an efficient hydroxide reagent in converting (hetero)aryl halides to the corresponding phenols with a Pd catalyst under mild conditions. Various phenol products were obtained in good to excellent yields. This transformation tolerates a broad range of functional groups and molecules, including base-sensitive substituents and complicated pharmaceutical (hetero)aryl halide molecules.

Photoinduced Hydroxylation of Organic Halides under Mild Conditions

Cai, Yue-Ming,Xu, Yu-Ting,Zhang, Xin,Gao, Wen-Xia,Huang, Xiao-Bo,Zhou, Yun-Bing,Liu, Miao-Chang,Wu, Hua-Yue

supporting information, p. 8479 - 8484 (2019/10/16)

Presented in this paper is photoinduced hydroxylation of organic halides, providing a mild access to a range of functionalized phenols and aliphatic alcohols. These reactions generally proceed under mild reaction conditions with no need for a photocatalyst or a strong base and show a wide substrate scope as well as excellent functional group tolerance. This work highlights the unique role of NaI that allows a challenging transformation to proceed under mild reaction conditions.

New heteroaryl carbamates: Synthesis and biological screening in vitro and in mammalian cells of wild-type and mutant HIV-protease inhibitors

Tramutola, Francesco,Armentano, Maria Francesca,Berti, Federico,Chiummiento, Lucia,Lupattelli, Paolo,D'Orsi, Rosarita,Miglionico, Rocchina,Milella, Luigi,Bisaccia, Faustino,Funicello, Maria

, p. 1863 - 1870 (2019/03/27)

New heteroaryl HIV-protease inhibitors bearing a carbamoyl spacer were synthesized in few steps and high yield, from commercially available homochiral epoxides. Different substitution patterns were introduced onto a given isopropanoyl-sulfonamide core that can have either H or benzyl group. The in vitro inhibition activity against recombinant protease showed a general beneficial effect of both carbamoyl moiety and the benzyl group, ranging the IC50 values between 11 and 0.6 nM. In particular, benzofuryl and indolyl derivatives showed IC50 values among the best for such structurally simple inhibitors. Docking analysis allowed to identify the favorable situation of such derivatives in terms of number of interactions in the active site, supporting the experimental results. The inhibition activity was also confirmed in HEK293 mammalian cells and was maintained against protease mutants. Furthermore, the metabolic stability was comparable with that of the commercially available inhibitors.

Synthesis of Phenols: Organophotoredox/Nickel Dual Catalytic Hydroxylation of Aryl Halides with Water

Yang, Liu,Huang, Zhiyan,Li, Gang,Zhang, Wei,Cao, Rui,Wang, Chao,Xiao, Jianliang,Xue, Dong

supporting information, p. 1968 - 1972 (2018/02/06)

A highly effective hydroxylation reaction of aryl halides with water under synergistic organophotoredox and nickel catalysis is reported. The OH group of the resulting phenols originates from water, following deprotonation facilitated by an intramolecular base group on the ligand. Significantly, aryl bromides as well as less reactive aryl chlorides served as effective substrates to afford phenols with a wide range of functional groups. Without the need for a strong inorganic base or an expensive noble-metal catalyst, this process can be applied to the efficient preparation of diverse phenols and enables the hydroxylation of multifunctional pharmaceutically relevant aryl halides.

HEMOGLOBIN MODIFIER COMPOUNDS AND USES THEREOF

-

Paragraph 00463; 00466, (2018/02/28)

Described herein are compounds, including pharmaceutically acceptable salts thereof, methods of making such compounds, pharmaceutical compositions comprising such compounds, and methods of using such compounds to treat, prevent or diagnose blood-based diseases, disorders or conditions.

Copper-Catalyzed Hydroxylation of (Hetero)aryl Halides under Mild Conditions

Xia, Shanghua,Gan, Lu,Wang, Kailiang,Li, Zheng,Ma, Dawei

supporting information, p. 13493 - 13496 (2016/10/31)

The combination of Cu(acac)2 and N,N′-bis(4-hydroxyl-2,6-dimethylphenyl)oxalamide (BHMPO) provides a powerful catalytic system for hydroxylation of (hetero)aryl halides. A wide range of (hetero)aryl chlorides bearing either electron-donating or -withdrawing groups proceeded well at 130 °C, delivering the corresponding phenols and hydroxylated heteroarenes in good to excellent yields. When more reactive (hetero)aryl bromides and iodides were employed, the hydroxylation reactions completed at relatively low temperatures (80 and 60 °C, respectively) at low catalytic loadings (0.5 mol % Cu).

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