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2-Benzzyl-1,3-dithiane is an organic compound with the chemical formula C11H14S2. It is a colorless liquid with a molecular weight of 214.35 g/mol. 2-benzyl-1,3-dithiane is characterized by the presence of a benzyl group attached to a 1,3-dithiane moiety, which consists of two sulfur atoms connected to a central carbon atom, with two methyl groups attached to each sulfur atom. 2-Benzzyl-1,3-dithiane is used as a protecting group in organic synthesis, particularly for aldehydes and ketones, due to its ability to form stable cyclic acetals. It is also employed as a ligand in coordination chemistry and as a reagent in various chemical transformations. The compound is soluble in organic solvents and has a relatively low toxicity, but it should be handled with care due to its potential irritant properties.

31593-52-9

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31593-52-9 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 31593-52-9 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 3,1,5,9 and 3 respectively; the second part has 2 digits, 5 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 31593-52:
(7*3)+(6*1)+(5*5)+(4*9)+(3*3)+(2*5)+(1*2)=109
109 % 10 = 9
So 31593-52-9 is a valid CAS Registry Number.

31593-52-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-benzyl-1,3-dithiane

1.2 Other means of identification

Product number -
Other names 1,3-Dithiane,2-benzyl

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:31593-52-9 SDS

31593-52-9Relevant academic research and scientific papers

N-heterocyclic carbene-catalyzed asymmetric synthesis of cyclopentenones

Chen, Zhizhou,Kong, Xiangwen,Niu, Shengtong,Yang, Shuang,Liu, Jinggong,Chen, Bolai,Luo, Benlong,Zhou, Changyu,Ding, Chenglin,Fang, Xinqiang

supporting information, p. 3403 - 3408 (2021/05/10)

N-Heterocyclic carbene-catalyzed asymmetric construction of cyclopentenones using enals and α-diketones is achieved, furnishing a series of highly functionalized cyclopentenones in a highly diastereo- and enantioselective manner. The protocol tolerates su

Enantioselective 1,2-Anionotropic Rearrangement of Acylsilane through a Bisguanidinium Silicate Ion Pair

Cao, Weidi,Tan, Davin,Lee, Richmond,Tan, Choon-Hong

supporting information, p. 1952 - 1955 (2018/02/17)

Highly enantioselective bisguanidinium-catalyzed tandem rearrangements of acylsilanes are reported. The acylsilanes were activated via an addition of fluoride on the silicon to form a penta-coordinate anionic silicate intermediate. The silicate then underwent alkyl or aryl group migration from the silicon atom to the neighboring carbonyl carbon atom (1,2-anionotropic rearrangement), followed by [1,2]-Brook rearrangement to provide the secondary alcohols in high yields with excellent enantioselectivities (up to 95% ee). The isolation of an α-silylcarbinol intermediate as well as DFT calculations revealed that the 1,2-anionotropic rearrangement occurred via a bisguanidinium silicate ion pair, which is the stereodetermining step. The chiral center formed is then retained without inversion through the subsequent [1,2]-Brook rearrangement. Crotyl acylsilanes were smoothly transformed into homoallylic linear crotyl alcohols with retention of E/Z geometry, and no branched alcohols were detected. This clearly suggested that the 1,2-anionotropic rearrangement occurred through a three-membered instead of a five-membered transition state.

Pot-economy autooxidative condensation of 2-Aryl-2-lithio-1,3-dithianes

Vale, Joao R.,Rimpil?inen, Tatu,Siev?nen, Elina,Rissanen, Kari,Afonso, Carlos A. M.,Candeias, Nuno R.

, p. 1948 - 1958 (2018/02/23)

The autoxidative condensation of 2-aryl-2-lithio-1,3-dithianes is here reported. Treatment of 2-aryl-1,3-dithianes with n-BuLi in the absence of any electrophile leads to condensation of three molecules of 1,3-dithianes and formation of highly functionalized α-thioether ketones orthothioesters in 51-89% yields upon air exposure. The method was further expanded to benzaldehyde dithioacetals, affording corresponding orthothioesters and α-thioether ketones in 48-97% yields. The experimental results combined with density functional theory studies support a mechanism triggered by the autoxidation of 2-aryl-2-lithio-1,3-dithianes to yield a highly reactive thioester that undergoes condensation with two other molecules of 2-aryl-2-lithio-1,3-dithiane.

Intermolecular Schmidt reaction of alkyl azides with acyl silanes

Yu, Chun-Jiao,Li, Rui,Gu, Peiming

supporting information, p. 3568 - 3570 (2016/07/18)

The first intermolecular Schmidt reaction of alkyl azides with acyl silanes has been designed and realized, producing a range of amides with absolute site selectivity in good to excellent yields. The mechanism of the conversion has been proposed, and the reaction exhibits scope of substrates.

Synthesis of disubstituted dithioethers: Tert -butoxide promoted elimination/ring opening of 1,3-dithianes followed by palladium-catalyzed C-S bond formation

Abidi, Nissa,Schmink, Jason R.

, p. 4123 - 4131 (2015/05/05)

We report the tandem base-promoted elimination/ring-opening of 2-benzyl-1,3-dithianes with subsequent cross coupling of the pendent thiol with a range of aryl bromides. A simple Pd(OAc)2/Xantphos catalyst system affects this new reaction and is

Calcium-catalyzed bis-hydrothiolation of unactivated alkynes providing dithioacetals

Hut'Ka, Martin,Tsubogo, Tetsu,Kobayashi, Shu

supporting information, p. 5626 - 5629 (2015/02/19)

Bis-hydrothiolation of alkynes providing anti-Markovnikov dithioacetals is reported. Lewis-acidic Ca(OSO2C4F9)2 (Ca(ONf)2) was synthesized for the first time and was shown to be an excellent catalyst

Solid-supported odorless reagents for the dithioacetalization of aldehydes and ketones

Jung,Gr?ssle,Lütjohann,Br?se

supporting information, p. 1036 - 1039 (2016/10/17)

A solid supported, odorless reagent for the dithioacetalization of aldehydes and ketones has been developed. The new reagent provides the dimercaptoalkane equivalent in combination with stoichiometric amounts of immobilized acid and enables the formation of dithianes and dithiolanes from aldehydes without any additives in good to very good yields with high purities. The reaction is chemoselective for aldehydes, but ketones can be reacted to the corresponding dithioketals if an additional Lewis acid such as BF3is added.

Organocatalytic asymmetric Michael reaction with acylsilane donors

Wu, Lei,Li, Guangxun,Fu, Qingquan,Yu, Luoting,Tang, Zhuo

supporting information, p. 443 - 447 (2013/02/23)

We have developed an organocatalytic asymmetric Michael reaction of acylsilane through the selection of acylsilane substrates and organocatalysts, thus creating a rare example of acylsilane α-alkylation with a chiral guanidine catalyst, which afforded pro

Palladium-catalyzed fluoride-free cross-coupling of intramolecularly activated alkenylsilanes and alkenylgermanes: Synthesis of tamoxifen as a synthetic application

Matsumoto, Kenji,Shindo, Mitsuru

supporting information; experimental part, p. 642 - 650 (2012/05/04)

We have demonstrated that intramolecular hypercoordination of a carboxylic acid is a powerful activation strategy for the palladium-catalyzed cross-coupling reaction of trialkyl(vinyl)silanes and trialkyl(vinyl)germanes under fluoride-free conditions. Z-β-Trialkylsilyl- and Z-β- trialkylgermylacrylic acids, synthesized stereoselectively by olefination with ynolates, are highly stable and useful reagents for cross-coupling with a variety of aryl iodides to provide tetrasubstituted olefins possessing different carbon substituents in a stereocontrolled and diversity-oriented manner. An application to a stereoselective synthesis of (Z)-tamoxifen is also reported. Copyright

Regio- and stereoselective copper-catalyzed addition of aromatic and aliphatic thiols to terminal and internal nonactivated alkynes

Trostyanskaya, Inna G.,Beletskaya, Irina P.

, p. 535 - 540 (2012/04/10)

The CuI-catalyzed regio- and stereoselective hydrothio-lation of terminal and internal alkynes affords (Z) - alkenylsulfides. The following isomerization of the Z-isomers into E-isomers catalyzed by CuI is described. Georg Thieme Verlag Stuttgart · New Yo

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