기본 정보
- CAS
108149-60-6- 표준 SMILES
COC(=O)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C- InChIKey
ZNBUXTFASGDVCL-QMMMGPOBSA-N- 분자식
- C12H21NO5
- 평균 분자량
- 259.3 g/mol
- 단동위원소 질량
- 259.14197277
이름 및 식별자
- 우선 이름
- 3-tert-Butyl 4-methyl (4S)-2,2-dimethyl-1,3-oxazolidine-3,4-dicarboxylate
- IUPAC
- 3-O-tert-butyl 4-O-methyl (4S)-2,2-dimethyl-1,3-oxazolidine-3,4-dicarboxylate
- 영어명
- (S)-(-)-3-tert-Butoxycarbonyl-4-methoxycarbonyl-2,2-dimethyl-1,3-oxazolidine
- 분자식
- C12H21NO5
- 분자량
- 259.3
이름 및 동의어
108149-60-63-tert-butyl 4-methyl (4S)-2,2-dimethyl-1,3-oxazolidine-3,4-dicarboxylateDTXSID20350837RefChem:282641DTXCID60301904627-841-1(S)-(-)-3-tert-Butoxycarbonyl-4-methoxycarbonyl-2,2-dimethyl-1,3-oxazolidineMFCD00192279(S)-3-tert-Butoxycarbonyl-4-methoxycarbonyl-2,2-dimethyl-1,3-oxazolidineMethyl (S)-(-)-3-Boc-2,2-dimethyl-4-oxazolidinecarboxylate(S)-(-)-3-Boc-4-methoxycarbonyl-2,2-dimethyl-1,3-oxazolidine(S)-3-Boc-2,2-Dimethyl-oxazolidine-4-carboxylic acid methyl ester
이름 더 보기
(S)-(-)-3-tert-Butoxycarbonyl-4-methoxycarbonyl-BOC-2,2-DIMETHYLOXAZOLIDINE-4-CARBOXYLIC ACID METHYL ESTERmethyl (tert-butoxycarbonyl)dimethyloxazolidinecarboxylate(S)-(-)-3-Tert-Butoxycarbonyl-4-Methoxycarbonyl-2,2-Dimethyl...(S)-3-Boc-2,2-dimethyl-oxazolidine-4-carboxylicacid methyl ester3-(1,1-DiMethylethyl) 4-Methyl(S)-2,2-diMethyl-3,4-oxazolidinediTERT-BUTYL METHYL (4S)-2,2-DIMETHYLOXAZOLIDINE-3,4-DICARBOXYLATE
3-O-tert-butyl 4-O-methyl (4S)-2,2-dimethyl-1,3-oxazolidine-3,4-dicarboxylateMethyl (S)-N-Boc-2,2-dimethyloxazolidine-4-carboxylate(S)-3-tert-butyl 4-methyl 2,2-dimethyloxazolidine-3,4-dicarboxylate3-(tert-butyl) 4-methyl (S)-2,2-dimethyloxazolidine-3,4-dicarboxylatemethyl-(S)-3-(tert-butoxycarbonyl)-2,2-dimethyl-4-oxazolidinecarboxylateO3-tert-Butyl O4-methyl (4S)-2,2-dimethyloxazolidine-3,4-dicarboxylateZNBUXTFASGDVCL-QMMMGPOBSA-NSCHEMBL3624180
물성
구조 계산 물성
- XLogP
- 1.4
- 극성 표면적
- 65.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 345
물리화학적 성질
- 끓는 점
- 101 · 101-102 °C2 mm Hg(lit.)
- 밀도
- 1.082 g/mL · 1.082 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.443(lit.)
- 인화점
- 199 °F · 199 °F
- 저장 조건
- Keep in dark place,Sealed in dry,Room Temperature
- 물리적 상태
- 액체
- 산도 계수 (pKa)
- -3.58 · -3.58±0.60(Predicted)
- 색상
- 맑은 노란색
- InChI
- 1S/C12H21NO5/c1-11(2,3)18-10(15)13-8(9(14)16-6)7-17-12(13,4)5/h8H,7H2,1-6H3/t8-/m0/s1
- InChIKey
- ZNBUXTFASGDVCL-QMMMGPOBSA-N
- SMILES
- COC(=O)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C
화학적 성질
Clear yellow liquid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- ridadr
- NA 1993 / PGIII
- HS 번호
- 29349990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
응용 분야
용도(S)-(-)-3-tert-Butoxycarbonyl-4-methoxycarbonyl-2,2-dimethyl-1,3-oxazolidine is a useful intermediate used in the improved synthesis of Garner′s aldehyde and analogs with multiple pharmaceutical applications.
상·하류 제품 정보
상류 원료
공급사100 곳
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
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