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기본 정보
- CAS
112741-50-1- 표준 SMILES
CC(C)(C)OC(=O)N1CC(=O)O[C@@H](c2ccccc2)[C@H]1c1ccccc1- InChIKey
MRUKRSQUUNYOFK-MOPGFXCFSA-N- 분자식
- C21H23NO4
- 평균 분자량
- 353.4 g/mol
- 단동위원소 질량
- 353.16270822
이름 및 식별자
- 우선 이름
- 1,1-Dimethylethyl (2S,3R)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate
- IUPAC
- tert-butyl (2S,3R)-6-oxo-2,3-diphenylmorpholine-4-carboxylate
- 영어명
- tert-Butyl (2S,3R)-(+)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate
- 분자식
- C21H23NO4
- 분자량
- 353.41
이름 및 동의어
RefChem:4100001,1-Dimethylethyl (2S,3R)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate112741-50-1(2S,3R)-Tert-butyl 6-oxo-2,3-diphenylmorpholine-4-carboxylatetert-butyl (2S,3R)-6-oxo-2,3-diphenylmorpholine-4-carboxylatetert-Butyl (2S,3R)-(+)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate(2S,3R)-N-BOC-6-OXO-2,3-DIPHENYLMORPHOLINEMFCD00074953(2S,3R)-(+)-N-tert-Butoxycarbonyl-6-oxo-2,3-diphenylmorpholineN-Boc-(2S,3R)-(+)-6-Oxo-2,3-diphenyl-4-morpholinecarboxylate173397-90-5SCHEMBL894292
이름 더 보기
(2S,3R)-tert-Butyl 6-oxo-2,3- diphenylmorpholine-4-carboxylate(2S,3R)-tert-Butyl(5R,6S)-N-Boc-5,6-diphenyl-2-morpholinone6-oxo-2,3-diphenylMorpholine-4-carboxylate(2S,3R)-(+)-N-Boc-6-oxo-2,3-diphenylMorpholinetert-butyl (2S,3R)-(+)-6-oxo-2,3-diphenyl-4-morph(5S,6R)-(+)-4-Boc-5,6-diphenyl-2-Morpholinone, 99%(2S,3R)-6-oxo-2,3-diphenylmorpholine-4-carboxylate
2S,3R-6-OXO-2,3-DIPHENYL-4-MORPHOLINECARBOXYLATEDTXSID30359674MRUKRSQUUNYOFK-MOPGFXCFSA-Ntert-butyl (2S,3R)-6-oxo-2,3-diphenyl-morpholine-4-carboxylateSC3531AKOS016842271AC-1768CS-W020639
물성
구조 계산 물성보충 중
- XLogP
- 3.9
- 극성 표면적
- 55.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 501
물리화학적 성질
- 녹는점
- 206 °C · 206 °C (dec.)(lit.)
- 끓는 점
- 509.6 · 509.6±50.0 °C(Predicted)
- 밀도
- 1.175 · 1.175±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 용해도
- 2 Cl2 · soluble in THF, CH2Cl2
- 물리적 상태
- solid
- 산도 계수 (pKa)
- -3.28 · -3.28±0.60(Predicted)
- InChI
- InChI=1S/C21H23NO4/c1-21(2,3)26-20(24)22-14-17(23)25-19(16-12-8-5-9-13-16)18(22)15-10-6-4-7-11-15/h4-13,18-19H,14H2,1-3H3/t18-,19+/m1/s1
- InChIKey
- MRUKRSQUUNYOFK-MOPGFXCFSA-N
- SMILES
- N1(C(OC(C)(C)C)=O)CC(=O)O[C@@H](C2=CC=CC=C2)[C@H]1C1=CC=CC=C1
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 39 reports by companies from 2 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
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37/39
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도(2S,3R)-(+)-N-Boc-6-oxo-2,3-diphenylmorpholine (Williams chiral auxiliary) can be used as a reactant: In the asymmetric synthesis of cylindrospermopsin and related alkaloids via an intramolecular 1,3-dipolar cycloaddition reaction.To synthesize boc-3-(1-methylcyclopropyl)-D-alanine, which is used as an intermediate to prepare 4-fluoroproline-based analogs as potent tripeptide thrombin inhibitors. In the total synthesis of potent hepatotoxic alkaloid 7-epicylindrospermopsin by intramolecular 1,3-dipolar cycloaddition and nitroaldol reaction.To prepare differentially functionalized diaminoglutamic acids via radical reaction of selenide with methyl 2-acetamidoacrylate.
공급사90 곳
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
上海科斯克尔医药科技有限公司00000000 15021108835 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
南通先行生物医药科技有限公司513-85982855 18921614129 · [email protected]
上海超悦化学科技有限公司（原上海斯比德化学）21-65679720 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
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