1-토실-a,a-디페닐-3-피롤리딘아세토니트릴

{1-[(4-Methylphenyl)sulfonyl]-3-pyrrolidinyl}(diphenyl)acetonitrile

HCID 22340524

기본 정보

CAS
133034-03-4
표준 SMILES
Cc1ccc(S(=O)(=O)N2CCC(C(C#N)(c3ccccc3)c3ccccc3)C2)cc1
InChIKey
XPQZNOFTICUMIN-UHFFFAOYSA-N
분자식
C25H24N2O2S
평균 분자량
416.5 g/mol
단동위원소 질량
416.15584901

이름 및 식별자

우선 이름
{1-[(4-Methylphenyl)sulfonyl]-3-pyrrolidinyl}(diphenyl)acetonitrile
IUPAC
2-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-2,2-diphenylacetonitrile
현지명
1-토실-a,a-디페닐-3-피롤리딘아세토니트릴
영어명
1-Tosyl-a,a-diphenyl-3-pyrrolidineacetonitrile
분자식
C25H24N2O2S
분자량
416.54

이름 및 동의어

133034-03-4{1-[(4-Methylphenyl)sulfonyl]-3-pyrrolidinyl}(diphenyl)acetonitrile2-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-2,2-diphenylacetonitrile1-Tosyl-a,a-diphenyl-3-pyrrolidineacetonitrile1-Tosyl-alpha,alpha-diphenyl-3-pyrrolidineacetonitrile3-Pyrrolidineacetonitrile, 1-[(4-methylphenyl)sulfonyl]-alpha,alpha-diphenyl-1-Tosyl-a,a-diphenyl-3-pyrrolidineacetonitrile; 1-[(4-Methylphenyl)sulfonyl]-a,a-diphenyl-3-pyrrolidineacetonitrile(S)-2,2-diphenyl-2-(1-tosyl-3-pyrrolidinyl)acetonitrile2,2-diphenyl-2-(1-tosylpyrrolidin-3-yl)acetonitrileSCHEMBL3229338DTXSID80624985XPQZNOFTICUMIN-UHFFFAOYSA-N
이름 더 보기
1-토실-a,a-디페닐-3-피롤리딘아세토니트릴1-Tosyl-α,α-diphenyl-1-Tosyl-α,α-diphenyl-3-pyrrolidineacetonitrile1-Tosyl-α,α-diphenyl-3-pyrrolidineacetonitrile3-Pyrrolidineacetonitrile, 1-[(4-methylphenyl)sulfonyl]-α,α-diphenyl-
2,2-diphenyl-2-[1-(p-tolylsulfonyl)pyrrolidin-3-yl]acetonitrileAKOS0302556071-Tosyl-?,?-diphenyl-3-pyrrolidineacetonitrile3-(R,S)-(1-cyano-1,1-diphenylmethyl)-1-tosylpyrrolidine[1-(4-Methylbenzene-1-sulfonyl)pyrrolidin-3-yl](diphenyl)acetonitrile[1-(4-Methylbenzene-1-sulfonyl)pyrrolidin-3-yl]di(phenyl)acetonitrile

데이터베이스 식별자

CAS
133034-03-4
PubChem CID
22340524
DTXSID
DTXSID80624985

물성

구조 계산 물성

XLogP
4.7
극성 표면적
69.6 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
4
회전 가능 결합 수
5
무거운 원자 수
30

물리화학적 성질

끓는 점
582.8 · 582.8±52.0 °C(Predicted)
밀도
1.241 · 1.241±0.06 g/cm3(Predicted)
용해도
클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨)
산도 계수 (pKa)
-6.01 · -6.01±0.40(Predicted)
물리적 상태
고체
색상
하얀색

화학적 성질

Pale Brown Solid

화학 및 산업

공급사5 곳

凯试(上海)科技有限公司021-50135380 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]

관련 반응

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