CAS 146603-99-8 1-tert-Butyl 4-ethyl 4-(prop-2-en-1-yl)piperidine-1,4-dicarboxylate (HCID 16218270)

기본 정보

CAS: 146603-99-8
표준 SMILES: C=CCC1(C(=O)OCC)CCN(C(=O)OC(C)(C)C)CC1
InChIKey: FOOVEGXEARQUBR-UHFFFAOYSA-N
분자식: C16H27NO4
평균 분자량: 297.39 g/mol
단동위원소 질량: 297.19400834

이름 및 식별자

우선 이름: 1-tert-Butyl 4-ethyl 4-(prop-2-en-1-yl)piperidine-1,4-dicarboxylate
IUPAC: 1-O-tert-butyl 4-O-ethyl 4-prop-2-enylpiperidine-1,4-dicarboxylate
현지명: 1,4-피페리딘디카르복실산,4-(2-프로펜-1-일)-,1-(1,1-디메틸에틸)4-에틸에스테르
영어명: 1,4-Piperidinedicarboxylic acid, 4-(2-propen-1-yl)-, 1-(1,1-dimethylethyl) 4-ethyl ester
분자식: C16H27NO4
분자량: 297.39

이름 및 동의어

146603-99-81-tert-butyl 4-ethyl 4-(prop-2-en-1-yl)piperidine-1,4-dicarboxylateDTXSID10584846RefChem:235345DTXCID10535611Ethyl 1-Boc-4-allyl-4-piperidinecarboxylate1-tert-butyl 4-ethyl 4-allylpiperidine-1,4-dicarboxylateMFCD09265071Ethyl1-boc-4-allyl-4-piperidinecarboxylate1-O-tert-butyl 4-O-ethyl 4-prop-2-enylpiperidine-1,4-dicarboxylate1,4-Piperidinedicarboxylic acid, 4-(2-propen-1-yl)-, 1-(1,1-dimethylethyl) 4-ethyl esterEthyl N-Boc-4-allylpiperidine-4-carboxylate

이름 더 보기

1,4-피페리딘디카르복실산,4-(2-프로펜-1-일)-,1-(1,1-디메틸에틸)4-에틸에스테르4-Allylpiperidine-1,4-dicarboxylic acid1,4-Piperidinedicarboxylic acid, 4-(2-propen-1-yl)-Ethyl 4-allyl-1-(tert-butoxycarbonyl)piperidine-4-carboxylate4-Allyl-piperidine-1,4-dicarboxylic acid 1-tert-butyl ester 4-ethyl ester1-(1,1-Dimethylethyl) 4-ethyl 4-(2-propen-1-yl)-1,4-piperidinedicarboxylate

1-Boc-4-allyl-4-ethoxycarbonylpiperidineSCHEMBL1281827FOOVEGXEARQUBR-UHFFFAOYSA-N1-(1,1-Dimethylethyl) 4-ethyl 4-(2-propenyl)-1,4-piperidinedicarboxylateAKOS015912171GS-5969SB43783FE154202

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 55.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 7
무거운 원자 수: 21
형식 전하: 0
복잡도: 390

물리화학적 성질

끓는 점: 130 · 130-135℃/1.5mmHg
밀도: 1.02 g/mLat · 1.020g/mLat 25℃
굴절률: 20 · n20/D 1.4676
인화점: 110 °C · >110°C
저장 조건: Store at Room Tem.
산도 계수 (pKa): -2.29 · -2.29±0.40(Predicted)
물리적 상태: solid
InChI: 1S/C16H27NO4/c1-6-8-16(13(18)20-7-2)9-11-17(12-10-16)14(19)21-15(3,4)5/h6H,1,7-12H2,2-5H3
InChIKey: FOOVEGXEARQUBR-UHFFFAOYSA-N
SMILES: CCOC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)CC=C

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 3
risk_code: 22
hazard_code: Xn
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도Reactant for synthesis of T-type calcium channel antagonists1

상·하류 제품 정보

하류 제품

2-옥사-8-아자스피로[4.5]데칸 tert-butyl 1-oxo-2-oxa-8-azaspiro[4.5]decane-8-carboxylate

공급사44 곳

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]

广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]

上海相辉医药科技有限公司13761987713 · [email protected]

郑州药领医药科技有限公司13526569071 · [email protected]

화합물 노트

불러오는 중…

1,4-피페리딘디카르복실산,4-(2-프로펜-1-일)-,1-(1,1-디메틸에틸)4-에틸에스테르