1,3-Benzodithiolylium Tetrafluoroborate (Hydroxyl-Protecting Agent)

HCID 2735971CAS 57842-27-0

기본 정보

표준 SMILES
F[B-](F)(F)F.c1ccc2[s+]csc2c1
InChIKey
CUSWPJQKCZMDPY-UHFFFAOYSA-N
분자식
C7H5BF4S2
평균 분자량
240.1 g/mol
단동위원소 질량
239.98618544

이름 및 식별자

우선 이름
1,3-Benzodithiolylium Tetrafluoroborate (Hydroxyl-Protecting Agent)
IUPAC
1,3-benzodithiol-3-ium tetrafluoroborate
영어명
1,3-Benzodithiolylium tetrafluoroborate
분자식
C7H5BF4S2
분자량
240.05

이름 및 동의어

1,3-Benzodithiolylium Tetrafluoroborate [Hydroxyl-Protecting Agent]1,3-Benzodithiolylium Tetrafluoroborate (Hydroxyl-Protecting Agent)RefChem:413854625-335-557842-27-01,3-Benzodithiolylium tetrafluoroboratebenzo[d][1,3]dithiol-1-ium tetrafluoroborateMFCD000706131,3-Benzodithiol-1-ium tetrafluoroborate1,3-benzodithiol-3-ium;tetrafluoroborate1,3-benzodithiolium tetrafluoroborate1,3-benzodithiol-2-ylium tetrafluoroborate
이름 더 보기
bdtf1,3-benzodithiol-3-ium:tetrafluoroborate1,3-Benzolithiolylium Tetrafluoroborate1,3-BENZODITHIOLYLIUM TETRAFLUOROBORATE 97%1,3-Benzodithiol-1-ium tetrafluoroborate 98%1,3-Benzodithiolylium Tetrafluoroborate 1,3-BENZODITHIOLYLIUM TETRAFLUOROBORATE USP/EP/BP
C7H5BF4S2SCHEMBL206192SCHEMBL206193SCHEMBL1736419DTXSID70371057CUSWPJQKCZMDPY-UHFFFAOYSA-NSBB099195AKOS015898403

데이터베이스 식별자

CAS
57842-27-0
PubChem CID
2735971
DTXSID
DTXSID70371057
EC Number
625-335-5

물성

구조 계산 물성

극성 표면적
56.5 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
6
회전 가능 결합 수
0
무거운 원자 수
14

물리화학적 성질

녹는점
150 °C · 150 °C (dec.) (lit.)
저장 조건
Inert atmosphere,Room Temperature
용해도
sol MeCN and DMF (slowly reacts); insol ether.
물리적 상태
고체
색상
회색에서 갈색으로
BRN
4731453 · 4731453

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (97.6%)

안전 데이터

wgk
3
ridadr
1759
HS 번호
2934999090
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36

화학 및 산업

응용 분야 · 2건

용도1,3-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.

일반 설명1,3-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.

제조 방법

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

공급사33 곳

北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎(中国)化学有限公司400-6106006 · [email protected]

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1건

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