(S,S)-2,2'-메틸렌비스(4-TERT-BUTYL-2-OXAZOLINE)

Bis((S)-4-(tert-butyl)-4,5-dihydrooxazol-2-yl)methane

HCID 688205

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 132098-54-5
표준 SMILES: CC(C)(C)[C@H]1COC(CC2=N[C@@H](C(C)(C)C)CO2)=N1
InChIKey: WCCCBUXURHZPQL-GHMZBOCLSA-N
분자식: C15H26N2O2
평균 분자량: 266.38 g/mol
단동위원소 질량: 266.19942807

이름 및 식별자

우선 이름: Bis((S)-4-(tert-butyl)-4,5-dihydrooxazol-2-yl)methane
IUPAC: (4S)-4-tert-butyl-2-[[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole
현지명: (S,S)-2,2'-메틸렌비스(4-TERT-BUTYL-2-OXAZOLINE)
영어명: (S,S)-2,2'-METHYLENEBIS(4-TERT-BUTYL-2-OXAZOLINE)
분자식: C15H26N2O2
분자량: 266.38

이름 및 동의어

132098-54-5Bis((S)-4-(tert-butyl)-4,5-dihydrooxazol-2-yl)methane(S,S)-2,2'-Methylenebis(4-tert-butyl-2-oxazoline)MFCD00192290Oxazole, 2,2'-methylenebis[4-(1,1-dimethylethyl)-4,5-dihydro-, (4S,4'S)-(4S)-4-tert-butyl-2-[[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazoleDTXSID60350831CCG-43814AS-757612,2 inverted exclamation marka-Methylenebis[(4S)-4-tert-butyl-2-oxazoline](S,S)-2,2/'-METHYLENEBIS(4-TERT-BUTYL-2-OXAZOLINE)Oxaz

이름 더 보기

(S,S)-2,2'-메틸렌비스(4-TERT-BUTYL-2-OXAZOLINE)Bis((4S)-4-tert-butyl-4,5-dihydrooxazol-2-yl)methaneBis[(S)-4-(tert-butyl)-4,5-dihydro-2-oxazolyl]methane2,2'-Methylenebis[(4S)-4-tert-butyl-4,5-dihydro-2-oxazole]2,2′-Methylenebis[(4S)-4-tert-butyl-2-oxazoline](4S,4'S)-2,2'-methylenebis[4-(1,1-dimethylethyl)-4,5-dihydro-Oxazole

HMS1526D16Maybridge4_001842SCHEMBL918989WCCCBUXURHZPQL-GHMZBOCLSA-NAKOS025294303CS-W010115NCGC00177200-01SY117314

데이터베이스 식별자

CAS: 132098-54-5
PubChem CID: 688205
DTXSID: DTXSID60350831
Nikkaji: J726.645F

물성

구조 계산 물성

XLogP: 3
극성 표면적: 43.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 19
형식 전하: 0
복잡도: 361

물리화학적 성질

녹는점: 51 · 51-53 °C(lit.)
끓는 점: 328.8 · 328.8±25.0 °C(Predicted)
밀도: 1.08 · 1.08±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
산도 계수 (pKa): 5.39 · 5.39±0.70(Predicted)
BRN: 4190673 · 4190673
InChI: InChI=1S/C15H26N2O2/c1-14(2,3)10-8-18-12(16-10)7-13-17-11(9-19-13)15(4,5)6/h10-11H,7-9H2,1-6H3/t10-,11-/m1/s1
InChIKey: WCCCBUXURHZPQL-GHMZBOCLSA-N
SMILES: C(C1=N[C@@H](C(C)(C)C)CO1)C1=N[C@@H](C(C)(C)C)CO1

안전 및 규제

안전 데이터

wgk: 3
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
F 고인화성물질: 10

화학 및 산업

응용 분야

용도C2 symmetric ligand for enantioselective catalysis. Easily forms bidentate coordination complexes due to the strong affinity of the oxazoline nitrogen for various metals.