2-(1-(tert-부톡시카르보닐)피페리딘-4-일)티아졸-4-카르복실산

2-(1-((Tert-butoxy)carbonyl)piperidin-4-yl)-1,3-thiazole-4-carboxylic acid

HCID 2795531

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 365413-00-9
표준 SMILES: CC(C)(C)OC(=O)N1CCC(c2nc(C(=O)O)cs2)CC1
InChIKey: KIRRXZPLONWSFO-UHFFFAOYSA-N
분자식: C14H20N2O4S
평균 분자량: 312.39 g/mol
단동위원소 질량: 312.1143783

이름 및 식별자

우선 이름: 2-(1-((Tert-butoxy)carbonyl)piperidin-4-yl)-1,3-thiazole-4-carboxylic acid
IUPAC: 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-thiazole-4-carboxylic acid
현지명: 2-(1-(tert-부톡시카르보닐)피페리딘-4-일)티아졸-4-카르복실산
영어명: 2-(1-(tert-butoxycarbonyl)piperidin-4-yl)thiazole-4-carboxylic acid
분자식: C14H20N2O4S
분자량: 312.38

이름 및 동의어

2-{1-[(tert-butoxy)carbonyl]piperidin-4-yl}-1,3-thiazole-4-carboxylic acid1-(1,1-Dimethylethyl) 4-(4-carboxy-2-thiazolyl)-1-piperidinecarboxylate1-(1,1-dimethylethyl) 4-[4-carboxy-2-thiazolyl]-1-piperidinecarboxylate2-(1-((Tert-butoxy)carbonyl)piperidin-4-yl)-1,3-thiazole-4-carboxylic acidRefChem:450626823-900-2365413-00-92-(1-(tert-Butoxycarbonyl)piperidin-4-yl)thiazole-4-carboxylic acid2-[1-(tert-Butoxycarbonyl)-4-Piperidinyl]-1,3-Thiazole-4-Carboxylic Acid2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-thiazole-4-carboxylic acidMFCD066589802-[1-(tert-butoxycarbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxylic acid

이름 더 보기

2-(1-(tert-부톡시카르보닐)피페리딘-4-일)티아졸-4-카르복실산2-(Piperdin-4-yl)-1,3-thiazole-4-carboxylic acid, N2-BOC protected2-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinyl]-4-thiazolecarboxylic acid1-Piperidinecarboxylic acid, 4-(4-carboxy-2-thiazolyl)-, 1-(1,1-dimethylethyl) ester2-{1-[(tert-butoxy)carbonyl]piperidin-4-yl}-1,3-thiazole-4-carboxylic acid - [AC79872]

2-(1-Boc-4-piperidyl)thiazole-4-carboxylic Acidtert-Butyl 4-(4-carboxythiazol-2-yl)piperidine-1-carboxylateSCHEMBL419123DTXSID70383751KIRRXZPLONWSFO-UHFFFAOYSA-NTBB484452-(1-(tert-Butoxycarbonyl)piperidin-4-yl)thiazole-4-carboxylicacidAKOS005073642

데이터베이스 식별자

CAS: 365413-00-9
PubChem CID: 2795531
DTXSID: DTXSID70383751
EC Number: 823-900-2

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 108 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 6
회전 가능 결합 수: 4
무거운 원자 수: 21
형식 전하: 0
복잡도: 402

물리화학적 성질

녹는점: 162 · 162-166℃
끓는 점: 471.9 · 471.9±35.0 °C(Predicted)
밀도: 1.279 · 1.279±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 3.93 · 3.93±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.