기본 정보
- CAS
390766-89-9- 표준 SMILES
CN1C(=O)[C@@H](Cc2ccccc2)N[C@H]1C(C)(C)C- InChIKey
SKHPYKHVYFTIOI-TZMCWYRMSA-N- 분자식
- C15H22N2O
- 평균 분자량
- 246.35 g/mol
- 단동위원소 질량
- 246.17321333
이름 및 식별자
- 우선 이름
- (2R,5R)-5-Benzyl-2-tert-butyl-3-methylimidazolidin-4-one
- IUPAC
- (2R,5R)-5-benzyl-2-tert-butyl-3-methylimidazolidin-4-one
- 영어명
- (2R,5R)-(+)-2-tert-Butyl-3-methyl-5-benzyl-4-imidazolidinone
- 분자식
- C15H22N2O
- 분자량
- 246.35
이름 및 동의어
390766-89-9(2R,5R)-5-benzyl-2-tert-butyl-3-methylimidazolidin-4-oneDTXSID40459492RefChem:206823DTXCID90410311(2R,5R)-(+)-2-tert-Butyl-3-methyl-5-benzyl-4-imidazolidinone(2R,5R)-5-Benzyl-2-(tert-butyl)-3-methylimidazolidin-4-oneMFCD08276842SCHEMBL10326381Rel-(2R,5R)-5-benzyl-2-(tert-butyl)-3-methylimidazolidin-4-one4-Imidazolidinone,2-(1,1-dimethylethyl)-3-methyl-5-(phenylmethyl)-, (2R,5R)-AKOS030549194
이름 더 보기
MacMillan catalystMACMILLAN ORGANOCATALYST(TM) RR246(2R,5R)-2-TERT-BUTYL-3-METHYL-5-BENZYL-&(2R,5R)-2-T-BUTYL-3-METHYL-5-PHENYLMETHYL-4-IMIDAZOLIDINONE(2R,5R)-(+)-5-Benzyl-2-tert-butyl-3-methyl-4-imidazolidinone(2R,5R)-2-TERT-BUTYL-3-METHYL-5-PHENYLMETHYL-4-IMIDAZOLIDINONE(2R,5R)-(+)-2-tert-Butyl-3-Methyl-5-benzyl-4-iMidazolidinone 97%(2R,5R)-2-(1,1-Dimethylethyl)-3-methyl-5-(phenylmethyl)-4-imidazolidinone
415678-34-1B4137A1-06807(2R,5R)-(+)-2-tert-Butyl-3-methyl-5-benzyl-4-imidazolidinone, 97%AS-73364SY234268DB-257592CS-0162364
데이터베이스 식별자
- CAS
390766-89-9- PubChem CID
- 11230366
- DTXSID
DTXSID40459492- Nikkaji
- J2.047.801B
물성
구조 계산 물성
- XLogP
- 3
- 극성 표면적
- 32.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 302
물리화학적 성질
- 녹는점
- 93 · 93-100°C
- 끓는 점
- 378 · 378.0±35.0 °C(Predicted)
- 밀도
- 1.04 · 1.040±0.06 g/cm3(Predicted)
- 저장 조건
- Inert atmosphere,Room Temperature
- 물리적 상태
- powder to crystal
- 산도 계수 (pKa)
- 5.59 · 5.59±0.60(Predicted)
- 색상
- 흰색에서 밝은 노란색
- InChI
- 1S/C15H22N2O/c1-15(2,3)14-16-12(13(18)17(14)4)10-11-8-6-5-7-9-11/h5-9,12,14,16H,10H2,1-4H3/t12-,14-/m1/s1
- InChIKey
- SKHPYKHVYFTIOI-TZMCWYRMSA-N
- SMILES
- CN1[C@@H](N[C@H](Cc2ccccc2)C1=O)C(C)(C)C
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 3
- HS 번호
- 2933.29.9000
- 스토리지 클래스
- 13 - Non Combustible Solids
화학 및 산업
응용 분야
용도Used in the 1,4-addition of electron-rich benzenes to unsaturated aldehydes, and the asymmetric hydride reduction of α,β-unsaturated aldehydes.
일반 설명(2R,5R)-(+)-2-tert-Butyl-3-methyl-5-benzyl-4-imidazolidinone is a chiral imidazolidinone organocatalyst, developed by MacMillan and co-workers.
공급사39 곳
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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Aladdin Scientific[email protected]
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