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6-methyl-4H-thiochromen-4-one is a chemical compound belonging to the thiochromenone class, characterized by a 4H-thiochromen-4-one core structure with a methyl group attached at the 6th position. This heterocyclic compound features a sulfur atom in the ring, which imparts unique chemical properties distinct from its oxygen-containing counterparts. It is known for its potential applications in the synthesis of various pharmaceuticals and agrochemicals, owing to its ability to form complex molecular structures. The compound's chemical formula is C9H7OS, and it has a molecular weight of 163.21 g/mol. Its structure and properties make it a subject of interest in organic chemistry and medicinal chemistry research.

1076-31-9

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1076-31-9 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 1076-31-9 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 1,0,7 and 6 respectively; the second part has 2 digits, 3 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 1076-31:
(6*1)+(5*0)+(4*7)+(3*6)+(2*3)+(1*1)=59
59 % 10 = 9
So 1076-31-9 is a valid CAS Registry Number.

1076-31-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 6-methylthiochromen-4-one

1.2 Other means of identification

Product number -
Other names 6-methyl-4H-thiochromen-4-one

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:1076-31-9 SDS

1076-31-9Relevant academic research and scientific papers

Synthesis of benzothiazonine by rhodium-catalyzed denitrogenative transannulation of 1-sulfonyl-1,2,3-triazole and thiochromone

Duan, Shengguo,Jablasone, Saygbechi T.,Li, Chuan-Ying,Xu, Ze-Feng,Ye, Zihang

, p. 5758 - 5761 (2021)

A facile synthesis of multi-functionalized benzothiazonine was achieved by the rhodium-catalyzed denitrogenative annulation of 1-sulfonyl-1,2,3-triazole and thiochromone. In view of the excellent atom economy, broad substrate scope and easy availability of starting materials, the protocol provided an efficient strategy for the construction of mediumN,S-heterocycles.

Cu(I)-Catalyzed Enantioselective Alkynylation of Thiochromones

Chang, Xiaoyong,Lin, Zhenyang,Meng, Ling,Ngai, Ka Yan,Wang, Jun

supporting information, p. 1155 - 1159 (2020/02/26)

A highly efficient asymmetric synthesis of chiral thiochromanones is developed via Cu(I)/phosphoramidite catalyzed asymmetric alkynylation of thiochromones under mild reaction conditions. The catalyst system is tolerant of various thiochromone precursors and terminal alkynes. The established asymmetric transformation provides different enatiomeric-enriched thiochromanones with more molecular complexity and enables access to chiral thioflavanones, a subgroup of flavonoid by further functionalization.

Development of conjugate addition of lithium dialkylcuprates to thiochromones: Synthesis of 2-alkylthiochroman-4-ones and additional synthetic applications

Bass, Shekinah A.,Parker, Dynasty M.,Bellinger, Tania J.,Eaton, Aireal S.,Dibble, Angelica S.,Koroma, Kaata L.,Sekyi, Sylvia A.,Pollard, David A.,Guo, Fenghai

supporting information, (2018/08/21)

Lithium dialkylcuprates undergo conjugate addition to thiochromones to afford 2-alkylthiochroman-4-ones in good yields. This approach provide an efficient and general synthetic approach to privileged sulfur-containing structural motifs and valuable precursors for many pharmaceuticals, starting from common substrates-thiochromones. Good yields of 2-alkyl-substituted thiochroman-4-ones are attained with lithium dialkylcuprates, lithium alkylcyanocuprates or substoichiometric amount of copper salts. The use of commercially available inexpensive alkyllithium reagents will expedite the synthesis of a large library of 2-alkyl substituted thiochroman-4-ones for additional synthetic applications.

Cu-Catalyzed Conjugate Addition of Grignard Reagents to Thiochromones: An Enantioselective Pathway for Accessing 2-Alkylthiochromanones

Luo, Shihui,Meng, Ling,Yang, Qingxiong,Wang, Jun

supporting information, p. 2071 - 2075 (2018/09/18)

The enantioselective incorporation of alkyl groups in thiochromones was realized for the first time by a Cu/(R, S)-PPF-P t Bu 2 -catalyzed conjugate addition of Grignard reagents to thiochromones. With this method, a series of 2-methylthiochromanones were obtained in good yields (up to 96% yield) with moderate-to-good ee values (up to 87% ee). The established method expedites the synthesis of a large library of chiral thiochromanones for further synthetic applications and biological studies.

Rh-Catalyzed Conjugate Addition of Arylzinc Chlorides to Thiochromones: A Highly Enantioselective Pathway for Accessing Chiral Thioflavanones

Meng, Ling,Jin, Ming Yu,Wang, Jun

supporting information, p. 4986 - 4989 (2016/10/14)

A highly efficient asymmetric synthesis of chiral thioflavanones is developed via conjugate addition of arylzinc reagents to thiochromones using Rh(COD)Cl2/(R)-3,4,5-MeO-MeOBIPHEP catalyst. This method overcomes catalyst poisoning and substrate inertness and affords a series of chiral thioflavanones (2-arylthiochroman-4-ones) in good yields (up to 91% yield) with excellent ee values (up to 97% ee). The established asymmetric synthesis paves the way for further pharmaceutical studies.

Ionic liquid catalyzed synthesis of 2-(indole-3-yl)-thiochroman-4-ones and their novel antifungal activities

Song, Ya-Li,Wu, Fan,Zhang, Chao-Chao,Liang, Guo-Chao,Zhou, Guan,Yu, Jiao-Jiao

supporting information, p. 259 - 261 (2015/04/13)

2-(Indole-3-yl)-thiochroman-4-ones were synthesized via ionic liquid and tested for in vitro antifungal activity. The contribution of ionic liquid to Michael addition reaction is significant. Structures of all compounds are elucidated by 1H NMR, 13C NMR and HRMS. Most of these compounds showed better antifungal activity than fluconazole. The results suggest that 2-(indole-3-yl)-thiochroman-4-ones would be efficient antifungal agents.

Palladium-Catalyzed Synthesis of (Z)-3-Arylthioacrylic Acids and Thiochromenones

Palani, Thiruvengadam,Park, Kyungho,Song, Kwang Ho,Lee, Sunwoo

, p. 1160 - 1168 (2013/05/21)

The three-component reaction of aryl halides, sodium sulfide pentahydrate (Na2S×5 H2O), and propiolic acid in the presence of 2.5% bis(triphenylphosphine)palladium chloride [Pd(PPh3) 2Cl2], 5% 1,4-bis(diphenylphosphino)butane (dppb) and 2equivalents of 1,8-diazabicycloundec-7-ene (DBU) produces stereoselectively (Z)-3-arylthioacrylic acids in good yields. A study of the reaction pathway suggested that the C-S bond formation between aryl halides and Na 2S×5 H2O proceeded first, and the resulting intermediate reacted with propiolic acid to produce the desired product. In addition, when the resulting product was treated with acid, the respective thiochromenones were formed in good yields. Copyright

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