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기본 정보
- CAS
912356-09-3- 표준 SMILES
CN1C[C@H]2c3cc(Cl)ccc3Oc3ccccc3[C@H]2C1=O- InChIKey
IHRQBJYWHVRTCP-XJKSGUPXSA-N- 분자식
- C17H14ClNO2
- 평균 분자량
- 299.757 g/mol
- 단동위원소 질량
- 299.07130637
이름 및 식별자
- 우선 이름
- rel-(3aR,12bS)-5-Chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one
- IUPAC
- (3aR,12bS)-5-Chloro-2-methyl-2,3,3a,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrol-1-one
- 영어명
- (3aR,12bS)-rel-5-Chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one
- 분자식
- C17H14ClNO2
- 분자량
- 299.75
이름 및 동의어
AsepineImpurity9Asenapine Impurity 9(3aR,12bS)-rel-5-Chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-dibenz[2,3Cis-5-chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-Dibenz[2,3:6,7]oxepino[4,5-c]pyrrole-1-one(3aR,12bS)-5-chloro-2-Methyl-2,3,3a,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrol-1-one(3aR,12bS)-rel-5-Chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-onerel-(3aR,12bS)-5-Chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one1H-Dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one, 5-chloro-2,3,3a,12b-tetrahydro-2-methyl-, (3aR,12bS)-rel-
데이터베이스 식별자
- CAS
912356-09-3- PubChem CID
- 66825976
- DTXSID
DTXSID80735843
물성
물리화학적 성질
- 끓는 점
- 428.41 · 428.410±45.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.311 · 1.311
- 저장 조건
- 2 · 2-8°C
- 용해도
- 디클로로메탄; 메탄올 에 용해됨
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- -0.672 · -0.672±0.20(predicted)
- 색상
- 갈색
화학 및 산업
응용 분야
용도rel-(3aR,12bS)-5-Chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one is an intermediate in the synthesis of cis-Asenapine Maleate (A788045), which can be used in synthetic preparation of amines by activation of amides by chloromethylsilane and redn. with lithium aluminum hydride.
공급사17 곳
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