N-((1R,2R)-2-Amino-1,2-diphenylethyl)-4-methylbenzene-1-sulfonamide

HCID 2734565

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 144222-34-4
표준 SMILES: Cc1ccc(S(=O)(=O)N[C@H](c2ccccc2)[C@H](N)c2ccccc2)cc1
InChIKey: UOPFIWYXBIHPIP-NHCUHLMSSA-N
분자식: C21H22N2O2S
평균 분자량: 366.5 g/mol
단동위원소 질량: 366.14019894

개요

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이름 및 식별자

우선 이름: N-((1R,2R)-2-Amino-1,2-diphenylethyl)-4-methylbenzene-1-sulfonamide
IUPAC: N-[(1R,2R)-2-amino-1,2-diphenylethyl]-4-methylbenzenesulfonamide
영어명: (1R,2R)-(-)-N-p-Tosyl-1,2-diphenylethylenediamine
분자식: C21H22N2O2S
분자량: 366.48

이름 및 동의어

DTXSID70370363N-[(1R,2R)-2-AMINO-1,2-DIPHENYLETHYL]-4-METHYLBENZENE-1-SULFONAMIDEN-((1R,2R)-2-Amino-1,2-diphenylethyl)-4-methylbenzene-1-sulfonamideRefChem:1090662DTXCID50321398144222-34-4(1R,2R)-(-)-N-(4-Toluenesulfonyl)-1,2-diphenylethylenediamine(R,R)-N-(p-Toluenesulfonyl)-1,2-diphenylethylenediamine(1R,2R)-(-)-N-p-Tosyl-1,2-diphenylethylenediamineN-((1R,2R)-2-AMINO-1,2-DIPHENYLETHYL)-4-METHYLBENZENESULFONAMIDEMFCD02093428(R,R)-TSDPEN

이름 더 보기

(1R,2R)-TSDPENR-TS-DPEN(1R,2R)-TSDPETIANFU-CHEM (R,R)-TsDPEN(R,R)-TsDPEN (1R,2R)-(-)-N-(1R,2R)-N-p-Toluenesulfonyl-1,2-diphe(1R,2R)-(-)-N-(4-Toluenesulfonyl)-1,2-(1R,2R)-N-P-TOSYL-1,2-DIPHENYLETHYLENE-D

N-[(1R,2R)-2-amino-1,2-diphenylethyl]-4-methylbenzenesulfonamideTsDPEN(1r,2r)-n-p-tosyl-1,2-diphenylethylenediamine(R,R)-N-(2-Amino-1,2-diphenylethyl)-p-toluenesulfonamide224454-16-4rel-N-((1R,2R)-2-Amino-1,2-diphenylethyl)-4-methylbenzenesulfonamiderel-(N-((1R,2R)-2-Amino-1,2-diphenylethyl)-4-methylbenzenesulfonamide)CBiol_000201

데이터베이스 식별자

CAS: 144222-34-4
PubChem CID: 2734565
DTXSID: DTXSID70370363
EC Number: 625-751-7
Nikkaji: J1.107.181C

물성

구조 계산 물성

XLogP: 3.4
극성 표면적: 80.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 6
무거운 원자 수: 26
형식 전하: 0
복잡도: 511

물리화학적 성질

녹는점: 128 · 128-131 °C(lit.)
끓는 점: 537.3 · 537.3±60.0 °C(Predicted)
밀도: 1.144 · 1.1440 (rough estimate)
굴절률: -30 ° · -30 ° (C=0.4, CHCl3)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 클로로포름, 메탄올에 용해됨
산도 계수 (pKa): 10.76 · 10.76±0.50(Predicted)
물리적 상태: 결정 또는 결정성 분말
색상: 흰색에서 약간 노란색
수용성: 불용성
InChI: InChI=1S/C21H22N2O2S/c1-16-12-14-19(15-13-16)26(24,25)23-21(18-10-6-3-7-11-18)20(22)17-8-4-2-5-9-17/h2-15,20-21,23H,22H2,1H3/t20-,21-/m1/s1
InChIKey: UOPFIWYXBIHPIP-NHCUHLMSSA-N
SMILES: C1(S(N[C@H](C2=CC=CC=C2)[C@H](N)C2=CC=CC=C2)(=O)=O)=CC=C(C)C=C1

화학적 성질

white to slightly yellow crystals or crystalline

안전 및 규제

안전 데이터

wgk: 3
HS 번호: 29215900
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

용도(1R,2R)-(-)-N-p-Tosyl-1,2-diphenylethylenediamine is used as a catalyst in stereoselective preparation of aromatic ketone derivatives as well as other chiral organic compounds.

일반 설명This product has been enhanced for catalytic efficiency.