기본 정보
- CAS
125198-47-2- 표준 SMILES
COCCOCOc1c(C/C=C(\C)CCC(=O)OC)c(OC)c(C)c2c1C(=O)OC2- InChIKey
MIKOZODALGSQPT-MKMNVTDBSA-N- 분자식
- C22H30O8
- 평균 분자량
- 422.5 g/mol
- 단동위원소 질량
- 422.19406791
이름 및 식별자
- 우선 이름
- (E)-6-[1,3-Dihydro-6-methoxy-4-[(2-methoxyethoxy)methoxy]-7-methyl-3-oxo-5-isobenzofuranyl]-4-methyl-4-hexenoic Acid Methyl Ester
- IUPAC
- methyl (E)-6-[6-methoxy-4-(2-methoxyethoxymethoxy)-7-methyl-3-oxo-1H-2-benzofuran-5-yl]-4-methylhex-4-enoate
- 영어명
- (E)-6-[1,3-Dihydro-6-methoxy-4-[(2-methoxyethoxy)methoxy]-7-methyl-3-oxo-5-isobenzofuranyl]-4-methyl-4-hexenoic Acid Methyl Ester
- 분자식
- C22H30O8
- 분자량
- 422.47
이름 및 동의어
125198-47-2(E)-6-[1,3-Dihydro-6-methoxy-4-[(2-methoxyethoxy)methoxy]-7-methyl-3-oxo-5-isobenzofuranyl]-4-methyl-4-hexenoic Acid Methyl Estermethyl (E)-6-[6-methoxy-4-(2-methoxyethoxymethoxy)-7-methyl-3-oxo-1H-2-benzofuran-5-yl]-4-methylhex-4-enoateMIKOZODALGSQPT-MKMNVTDBSA-Nmethyl (E) 6-(1,3-dihydro-6-methoxy-4-methoxyethoxymethoxy-7-methyl-3-oxoisobenzofuran-5-yl)-4-methyl-4-hexenoatemethyl (E)-6-(1,3-dihydro-6-methoxy -4-methoxyethoxymethoxy-7-methyl-3-oxoisobenzofuran-5-yl)-4-methyl-4-hexenoatemethyl (E)-6-(1,3-dihydro-6-methoxy-4-methoxyethoxymethoxy-7-methyl-3-oxoisobenzofuran-5-yl) -4-methyl-4-hexenoate4-Hexenoic acid, 6-[1,3-dihydro-6-methoxy-4-[(2-methoxyethoxy)methoxy]-7-methyl-3-oxo-5-isobenzofuranyl]-4-methyl-, methyl ester, (E)- (9CI)
데이터베이스 식별자
- CAS
125198-47-2- PubChem CID
- 10342183
- Nikkaji
- J273.757D
물성
구조 계산 물성
- XLogP
- 3.1
- 극성 표면적
- 89.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 590
물리화학적 성질
- 녹는점
- 119 · 119-121 °C(Solv: ethyl ether (60-29-7); hexane (110-54-3))
- 끓는 점
- 571.4 · 571.4±50.0 °C(Predicted)
- 밀도
- 1.169 · 1.169±0.06 g/cm3(Predicted)
- 용해도
- DCM에 용해됨
- 물리적 상태
- 고체
- 색상
- 하얀색
화학 및 산업
응용 분야
용도(E)-6-[1,3-Dihydro-6-methoxy-4-[(2-methoxyethoxy)methoxy]-7-methyl-3-oxo-5-isobenzofuranyl]-4-methyl-4-hexenoic Acid Methyl Ester is an intermediate in the synthesis of Mycophenolate Mofetil (M831450) related impurities.
공급사2 곳
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
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