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기본 정보
- CAS
13894-21-8- 표준 SMILES
C#CS(=O)(=O)c1ccc(C)cc1- InChIKey
FTHKWIMQNXVEHW-UHFFFAOYSA-N- 분자식
- C9H8O2S
- 평균 분자량
- 180.228 g/mol
- 단동위원소 질량
- 180.0245005
이름 및 식별자
- 우선 이름
- Ethynyl p-tolyl sulfone
- IUPAC
- 1-(Ethynesulfonyl)-4-methylbenzene
- 영어명
- Ethynyl p-tolyl sulfone
- 분자식
- C9H8O2S
- 분자량
- 180.22
이름 및 동의어
1-(ethynylsulfonyl)-4-MethylbenzeneTOSYLACETYLENEEthynyl p-tolyl sulfoneEthynylp-TolylSulfone>p-tolylsulfonylacetylene4-(Ethynylsulfonyl)tolueneP-TOLUENESULFONYLACETYLENEEthynyl p-Tolyl SulfoneBenzene, 1-(ethynylsulfonyl)-4-methyl-p-Toluenesulfonylacetylene, Tosylacetylene
데이터베이스 식별자
- CAS
13894-21-8- PubChem CID
- 4463273
- DTXSID
DTXSID20403554- ChEMBL
CHEMBL234895- EC Number
- 625-645-0
- Nikkaji
- J471.571C
물성
물리화학적 성질
- 녹는점
- 73 · 73-74 °C (lit.)
- 끓는 점
- 297.9 · 297.9±33.0 °C(Predicted)
- 밀도
- 1.219 · 1.219±0.06 g/cm3(Predicted)
- 저장 조건
- Inert atmosphere,Room Temperature
- 용해도
- 유기용매: 에 용해됨(lit.)
- 물리적 상태
- powder to crystal
- 색상
- 흰색에서 밝은 노란색
- BRN
- 2556169 · 2556169
- InChI
- 1S/C9H8O2S/c1-3-12(10,11)9-6-4-8(2)5-7-9/h1,4-7H,2H3
- InChIKey
- FTHKWIMQNXVEHW-UHFFFAOYSA-N
- SMILES
- Cc1ccc(cc1)S(=O)(=O)C#C
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 3
- HS 번호
- 29041000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도Ethynyl p-tolyl sulfone (Tosylacetylene) may be used in the synthesis of 2-(4-methylphenylsulfonyl)ethenyl (tosvinyl, Tsv) protected derivatives. It may be used as starting reagent for the synthesis of optically active indan-2-ols.
제조 방법
Ethynyl p-Tolyl Sulfone has been prepared by several groups over the years employing a variety of synthetic strategies including ethynyl Grignard addition to p-toluenesulfonyl fluoride, dehydroiodination of (E)-2-iodo-1- tosyl-1-ethene, oxidative elimination of β-[(4-methylphenyl)seleno]vinyl sulfone, dehydrobromination of cis-and trans-2-bromovinyl 4-methylphenyl sulfone,23 diazotization of 4-[(4-methylphenyl)sulfonyl]-5- aminoisoxazole, and oxidation of ethynyl thioether. The modified strategy commonly used today is an established Friedel-Crafts based procedure first performed by Bhattacharya et al. but recently exploited by Waykole and Paquette (eq 1). Its simplicity and mildness has shown it to be broadly useful since it bypasses the need for immoderate conditions encountered in the earlier strategies.
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