ChemicalBook CAS DataBase List 57842-27-0

57842-27-0

Name	1,3-BENZODITHIOLYLIUM TETRAFLUOROBORATE
CAS	57842-27-0
Molecular Formula	C7H5BF4S2
MDL Number	MFCD00070613
Molecular Weight	240.05
MOL File	57842-27-0.mol

Chemical Properties

Melting point	150 °C (dec.) (lit.)
storage temp.	2-8°C
solubility	sol MeCN and DMF (slowly reacts); insol ether.
form	Solid
color	Gray to brown
BRN	4731453
InChI	1S/C7H5S2.BF4/c1-2-4-7-6(3-1)8-5-9-7;2-1(3,4)5/h1-5H;/q+1;-1
InChIKey	CUSWPJQKCZMDPY-UHFFFAOYSA-N
SMILES	F[B-](F)(F)F.c1ccc2[s+]csc2c1
CAS DataBase Reference	57842-27-0(CAS DataBase Reference)

Safety Data

Hazard Codes	Xi
Risk Statements	R36/37/38:Irritating to eyes, respiratory system and skin . less more
Safety Statements	S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S36:Wear suitable protective clothing . less more
RIDADR	1759
WGK Germany	3
F	8-10-21
Hazard Note	Irritant
HazardClass	8
PackingGroup	III
HS Code	2934999090
Storage Class	11 - Combustible Solids
Hazard Classifications	Eye Irrit. 2 Skin Irrit. 2 STOT SE 3

Raw materials And Preparation Products

Hazard Information

Uses

1,3-Benzodithiolylium tetrafluoroborate may be used in the synthesis of the following:

Dibenzotetrathiafulvalene by reacting with 1,8-diazabicyclo[5.4.0]undec-7-ene.
Substituted arylcarbenium ions by reacting with boronic derivatives.
α-(1,3-benzodithiol-2-ylidene) ketones and 1,3-benzodithiole by reacting with ketones.
2-styryl-1,3-benzodithioles by reacting with styryl-type cobaloximes.
2-(3-indolyl)-1,3-benzodithiolylium tetrafluoroborate by reacting with indole.
2-(1,3-benzodithiol-2-ylidene)-3,5-cyclohexadien-1-ones and 4-(1,3-benzodithiol-2-ylidene)-2,5-cyclohexadien-1-ones by reacting with 2,4- and 2,6-disubstituted phenols.

Preparation

Preparative Method of 1,3-Benzodithiolylium tetrafluoroborate: treatment of 2-(3-methylbutoxy)-1,3-benzodithiole with Tetrafluoroboric Acid in Acetic Anhydride at 0 °C.

General Description

1,3-Benzodithiolylium tetrafluoroborate is a carbenium ionic compound. It has been synthesized by reacting 1,3-benzodithiole with trityl tetrafluoroborate. It is widely used as an α-alkylating agent for the enantioselective α-alkylation of aldehydes., The nature of adsorption of 1,3-benzodithiolylium tetrafluoroborate on various carbon nanotubes (CNTs) has been studied. 1,3-Benzodithiolylium tetrafluoroborate reacts with different nucleophilic reagents at the 2-position to form the respective 1,3-benzodithioles.

storage

1,3-Benzodithiolylium tetrafluoroborate can be stored in the absence of moisture and light; no toxicity data is currently available; 1,3-benzodithiol-1-ium perchlorate [32283-21-9] is also known, but poses a risk of explosion.

Purification Methods

1,3-Benzodithiolylium tetrafluoroborate is recrystallized from acetic acid or acetonitrile/ether.

Spectrum Detail

Well-known Reagent Company Product Information

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