CAS 841286-80-4 Tert-butyl 3-hydroxy-4,4-dimethoxypiperidine-1-carboxylate (HCID 11425480)

기본 정보

CAS: 841286-80-4
표준 SMILES: COC1(OC)CCN(C(=O)OC(C)(C)C)CC1O
InChIKey: NJRYBJQLRONERE-UHFFFAOYSA-N
분자식: C12H23NO5
평균 분자량: 261.31 g/mol
단동위원소 질량: 261.15762284

이름 및 식별자

우선 이름: Tert-butyl 3-hydroxy-4,4-dimethoxypiperidine-1-carboxylate
IUPAC: tert-butyl 3-hydroxy-4,4-dimethoxypiperidine-1-carboxylate
현지명: 1-피페리딘카르복실산,3-히드록시-4,4-디메톡시-,1,1-디메틸에틸에스테르
영어명: Tert-butyl 3-hydroxy-4,4-dimethoxypiperidine-1-carboxylate
분자식: C12H23NO5
분자량: 261.31

이름 및 동의어

TERT-BUTYL 3-HYDROXY-4,4-DIMETHOXYPIPERIDINE-1-CARBOXYLATE841286-80-4DTXSID90465508RefChem:383402DTXCID80416327MFCD224934701-piperidinecarboxylic acid, 3-hydroxy-4,4-dimethoxy-, 1,1-dimethylethyl esterSCHEMBL2726581AMY342671-Boc-4,4-dimethoxypiperiTert-butyl 3-hydroxy-4,4-dimethoxy-piperidine-1-carboxylateALBB-030044

이름 더 보기

1-피페리딘카르복실산,3-히드록시-4,4-디메톡시-,1,1-디메틸에틸에스테르Benzo[b]thiophene-2-carboxylicacid,5,9-dimethoxy-,methylester3-hydroxy-4,4-dimethoxy-1-piperidinecarboxylic acid tert-butyl ester3-hydroxy-4,4-dimethoxy-piperidine-1-carboxylic acid tert-butyl ester

1-Boc-4,4-dimethoxypiperidin-3-olCL8007AKOS022183516SB11377AS-45984SY098288CS-0048284EN300-393088

데이터베이스 식별자

CAS: 841286-80-4
PubChem CID: 11425480

물성

구조 계산 물성

XLogP: 0.3
극성 표면적: 68.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 4
무거운 원자 수: 18
형식 전하: 0
복잡도: 295

물리화학적 성질

끓는 점: 338.4 · 338.4±42.0 °C(Predicted)
밀도: 1.13 · 1.13±0.1 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 13.46 · 13.46±0.40(Predicted)
InChI: InChI=1S/C12H23NO5/c1-11(2,3)18-10(15)13-7-6-12(16-4,17-5)9(14)8-13/h9,14H,6-8H2,1-5H3
InChIKey: NJRYBJQLRONERE-UHFFFAOYSA-N
SMILES: N1(C(OC(C)(C)C)=O)CCC(OC)(OC)C(O)C1

안전 및 규제

안전 데이터

ridadr: UN2811

화학 및 산업

응용 분야

용도Tert-butyl 3-hydroxy-4,4-dimethoxypiperidine-1-carboxylate can be used as a pharmaceutical intermediate for the preparation of piperidine derivatives.