(4R-cis)-6-클로로메틸-2,2-디메틸-1,3-디옥산-4-아세트산tert-부틸에스테르

tert-butyl 2-[(4R,6S)-6-(chloromethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate

HCID 9835373

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 154026-94-5
표준 SMILES: CC(C)(C)OC(=O)C[C@H]1C[C@@H](CCl)OC(C)(C)O1
InChIKey: TXLXWCARAPIXGH-ZJUUUORDSA-N
분자식: C13H23ClO4
평균 분자량: 278.77 g/mol
단동위원소 질량: 278.1284869

이름 및 식별자

우선 이름: tert-butyl 2-[(4R,6S)-6-(chloromethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate
IUPAC: tert-butyl 2-[(4R,6S)-6-(chloromethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate
현지명: (4R-cis)-6-클로로메틸-2,2-디메틸-1,3-디옥산-4-아세트산tert-부틸에스테르
영어명: (4R-cis)-6-Chloromethyl-2,2-dimethyl-1,3-dioxane-4-acetic Acid tert-Butyl Ester
분자식: C13H23ClO4
분자량: 278.77

이름 및 동의어

154026-94-5(4R-cis)-6-Chloromethyl-2,2-dimethyl-1,3-dioxane-4-acetic Acid tert-Butyl Estertert-butyl 2-[(4R,6S)-6-(chloromethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetatetert-Butyl 2-((4R,6S)-6-(chloromethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetateMFCD08706402Rosuvastatin Impurity 891,3-Dioxane-4-acetic acid, 6-(chloromethyl)-2,2-dimethyl-, 1,1-dimethylethyl ester, (4R,6S)-C13H23ClO4TXLXWCARAPIXGH-ZJUUUORDSA-NRosuvastatin Impurity 154Acid tert-Butyl Ester(D4)X5Q4N2H6BJ

이름 더 보기

(4R-cis)-6-클로로메틸-2,2-디메틸-1,3-디옥산-4-아세트산tert-부틸에스테르Rosuvastatin Impurity 115Pitavastatin Impurity 38 CRStert-Butyl [(4R,6S)-6-(chloromethyl)-2,2-(4R-cis)-6-Chloromethyl-2,2-dimethyl-1,3-dioxane-4-acetic Ac...tert-Butyl (4R-cis)-6-Chloromethyl-2,2-dimethyl-1,3-dioxane-4-acetatetert-Butyl (4R,6S)-6-(chloromethyl)-2,2-dimethyl-1,3-dioxane-4-acetate(4R-cis)-6-Chloromethyl-2,2-dimethyl-1,3-dioxane-4-acetic Acid tBu Esterert-butyl2-[(4R,6S)-6-(chloromethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetatetert-Butyl [(4R,6S)-6-(chloromethyl)-2,2-dimethyl- 1,3dioxan-4-yl]acetate

SCHEMBL573699DTXSID10431508AKOS015967521FC20267(4R,6S)-6-(Chloromethyl)-2,2-dimethyl-1,3-dioxane-4-acetic Acid 1,1-Dimethylethyl EsterAS-19282SY023417DB-309285

데이터베이스 식별자

CAS: 154026-94-5
PubChem CID: 9835373
DTXSID: DTXSID10431508
UNII: X5Q4N2H6BJ
Nikkaji: J1.647.866K

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 44.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 5
무거운 원자 수: 18
형식 전하: 0
복잡도: 296

물리화학적 성질

끓는 점: 326.2 · 326.2±22.0 °C(Predicted)
밀도: 1.045 · 1.045±0.06 g/cm3(Predicted)
저장 조건: Refrigerator
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
색상: 회백색
InChI: InChI=1S/C13H23ClO4/c1-12(2,3)18-11(15)7-9-6-10(8-14)17-13(4,5)16-9/h9-10H,6-8H2,1-5H3/t9-,10+/m1/s1
InChIKey: TXLXWCARAPIXGH-ZJUUUORDSA-N
SMILES: O1[C@H](CCl)C[C@H](CC(OC(C)(C)C)=O)OC1(C)C

화학 및 산업

응용 분야

용도A HMG-CoA reductase inhibitor intermediate.

공급사100 곳

上海沛灵生物科技有限公司13127581762 13127581762 · [email protected]

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

济南百隆化学有限公司[email protected] · [email protected]

화합물 노트

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