2,2'-[Iminobis(sulfonyl)]-3,3'-bis[3,5-bis(trifluoromethyl)phenyl]-1,1'-binaphthalene
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기본 정보
- CAS
1242421-77-7- 표준 SMILES
O=S1(=O)NS(=O)(=O)c2c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc3ccccc3c2-c2c1c(-c1cc(C(F)(F)F)cc(C(F)(F)F)c1)cc1ccccc21- InChIKey
DFXCMPXSCANWFA-UHFFFAOYSA-N- 분자식
- C36H17F12NO4S2
- 평균 분자량
- 819.6 g/mol
이름 및 식별자
- 우선 이름
- 2,2'-[Iminobis(sulfonyl)]-3,3'-bis[3,5-bis(trifluoromethyl)phenyl]-1,1'-binaphthalene
- IUPAC
- 10,16-bis[3,5-bis(trifluoromethyl)phenyl]-12λ6,14λ6-dithia-13-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 12,12,14,14-tetraoxide
- 영어명
- (11bS)-2,6-Bis[3,5-bis(trifluoromethyl)phenyl]dinaphtho[2,1-d:1′,2′-f][1,3,2]dithiazepine 3,3,5,5-tetraoxide
- 분자식
- C36H17F12NO4S2
- 분자량
- 819.64
이름 및 동의어
1242421-77-71174193-01-1(R)-3,3-Bis[3,5-bis(trifluoromethyl)phenyl]-1,1-binaphthyl-2,2-disulfonimide2,2'-[Iminobis(sulfonyl)]-3,3'-bis[3,5-bis(trifluoromethyl)phenyl]-1,1'-binaphthalene(11BS)-2,6-Bis[3,5-bis(trifluoromethyl)phenyl]dinaphtho[2,1-d:1',2'-f][1,3,2]dithiazepine 3,3,5,5-tetraoxide10,16-bis[3,5-bis(trifluoromethyl)phenyl]-12lambda6,14lambda6-dithia-13-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 12,12,14,14-tetraoxide2,6-Bis(3,5-bis(trifluoromethyl)phenyl)dinaphtho[2,1-d:1',2'-f][1,3,2]dithiazepine- 3,3,5,5-tetraoxide-(11bR)-(11BS)-2,6-Bis[3,5-bis(trifluoromethyl)phenyl]dinaphtho[2,1-d:1 inverted exclamation marka,2 inverted exclamation marka-f][1,3,2]dithiazepine 3,3,5,5-tetraoxideMFCD28009151(S)-3,3'-Bis[3,5-bis(trifluoromethyl)phenyl]-1,1'-binaphthyl-2,2'-disulfonimide1384452-65-62,6-BIs[3,5-bis(trifluoromethyl)phenyl]dinaphtho[2,1-d:1 inverted exclamation marka,2 inverted exclamation marka-f][1,3,2]dithiazepine 3,3,5,5-tetraoxide
물성
구조 계산 물성보충 중
- XLogP
- 11
- 극성 표면적
- 97.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 17
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 55
- 형식 전하
- 0
- 복잡도
- 1,460
물리화학적 성질
- 녹는점
- 325 · 325-330°C
- 물리적 상태
- solid
- InChIKey
- DFXCMPXSCANWFA-UHFFFAOYSA-N
- SMILES
- O=S(C1=C(C2=C(C=CC=C3)C3=CC(C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=C2S5(=O)=O)C6=C(C=CC=C6)C=C1C7=CC(C(F)(F)F)=CC(C(F)(F)F)=C7)(N5)=O
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도Chiral Bronsted acid demonstrated in Mukaiyama aldol reactions and Friedel-Crafts alkylation of indoles with sulfonyl imines.A Powerful Chiral Counteranion Motif for Asymmetric CatalysisChiral Sulfonimide as a Brnsted Acid Organocatalyst for Asymmetric Friedel-Crafts Alkylation of Indoles with IminesChiralN-Fluorodibenzenesulfonimide Analogues for Enantioselective Electrophilic Fluorination and Oxidative Fluorination
관련 반응
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