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

4-Tert-butyl-2-[1-(4-tert-butyl-4,5-dihydrooxazol-2-yl)-1-methyl-ethyl]-4,5-dihydrooxazole

HCID 495276
노트반응
부분 구조 검색유사 구조 찾기

기본 정보

CAS
131833-93-7
표준 SMILES
CC(C)(C1=NC(C(C)(C)C)CO1)C1=NC(C(C)(C)C)CO1
InChIKey
DPMGLJUMNRDNMX-UHFFFAOYSA-N
분자식
C17H30N2O2
평균 분자량
294.4 g/mol
단동위원소 질량
294.2307282

이름 및 식별자

우선 이름
4-Tert-butyl-2-[1-(4-tert-butyl-4,5-dihydrooxazol-2-yl)-1-methyl-ethyl]-4,5-dihydrooxazole
IUPAC
4-tert-butyl-2-[2-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4,5-dihydro-1,3-oxazole
현지명
(S,S)-(-)-2,2'-이소프로필리덴비스(4-TERT-BUTYL-2-OXAZOLINE)
영어명
(S,S)-(-)-2,2'-Isopropylidenebis(4-tert-butyl-2-oxazoline)
분자식
C17H30N2O2
분자량
294.43

이름 및 동의어

225531-61-3Oxazole, 2,2'-(1-methylethylidene)bis[4-(1,1-dimethylethyl)-4,5-dihydro-4-tert-butyl-2-[1-(4-tert-butyl-4,5-dihydrooxazol-2-yl)-1-methyl-ethyl]-4,5-dihydrooxazole2,2'-(Propane-2,2-diyl)bis(4-(tert-butyl)-4,5-dihydrooxazole)NSC6484694-tert-butyl-2-[2-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4,5-dihydro-1,3-oxazoleSCHEMBL1130554DTXSID20927361AKOS015917836AKOS025243656AB89538ST066883
이름 더 보기
(S,S)-(-)-2,2'-이소프로필리덴비스(4-TERT-BUTYL-2-OXAZOLINE)(4S,4'S)-2,2'-(Propane-2,2-diyl)bis(4-(tert-butyl)-4,5-dihydrooxazole)2,2'-ISOPROPYLIDENEBIS[(4S)-4-TERT-BUTYL-2-OXAZOLINE](S,S)-(-)-2,2(S,S)-(-)-2,2'Isopropylidenebisbutyloxazoline2,2-isopropylidenebis((4S)-4-tert-butyl-2-oxazol2,2-Bis[(4S)-4-tert-butyl-2-oxazolin-2-yl]propane2,2’-Isopropylidenebis[(S)-4-(tert-butyl)-2-oxazoline(S,S)-(-)-2,2-BIS(4-TERT-BUTYL-2-OXAZOLIN-2-YL)PROPANE2,2’-Isopropylidenebis[(S)-4-(tert-butyl)-2-oxazoline]
2,2'-(Propane-2,2-diyl)bis(4-tert-butyl-4,5-dihydro-1,3-oxazole)(4S)-2-{1-[(4S)-4-(tert-butyl)(1,3-oxazolin-2-yl)]-isopropyl}-4-(tert-butyl)-1 ,3-oxazoline(4S,4S)-2,2-(Propane-2,2 inverted exclamation mark -Diyl)Bis(4-(Tert-Butyl)-4,5-Dihydrooxazole)

데이터베이스 식별자

CAS
131833-93-7
PubChem CID
495276
DTXSID
DTXSID20927361
Nikkaji
J1.202.631E

물성

구조 계산 물성

XLogP
4
극성 표면적
43.2 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
4
회전 가능 결합 수
4
무거운 원자 수
21

물리화학적 성질

녹는점
89 · 89-91 °C(lit.)
끓는 점
350.4 · 350.4±25.0 °C(Predicted)
밀도
1.04 · 1.04±0.1 g/cm3(Predicted)
굴절률
-118 ° · -118 ° (C=1, CHCl3)
저장 조건
Inert atmosphere,Room Temperature
용해도
2 O; · insol H2O; sol all common organic solvents

안전 및 규제

안전 데이터

wgk
3
HS 번호
29349990
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36
Hazard Classifications
Eye Irrit. 2Skin Irrit. 2STOT SE 3

화학 및 산업

응용 분야

용도Chiral catalyst for asymmetric synthesis. C2 symmetric ligand for enantioselective catalysis. Easily forms bidentate coordination complexes due to the strong affinity of the oxazoline nitrogen for various metals.

제조 방법

(S,S)-(-)-2,2'-ISOPROPYLIDENEBIS(4-TERT-BUTYL-2-OXAZOLINE) is readily prepared from chiral β-amino alcohols using standard methods for the synthesis of 2-oxazolines.

상·하류 제품 정보

공급사100 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
陕西科贝莱药物研发有限公司13119135307 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
天津长江化学有限公司19129375004; 15321929114 · [email protected]

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