CAS 142851-03-4 1-Tert-butyl 4-ethyl piperidine-1,4-dicarboxylate (HCID 2758812)

이름 및 식별자

우선 이름: 1-Tert-butyl 4-ethyl piperidine-1,4-dicarboxylate
IUPAC: 1-O-tert-butyl 4-O-ethyl piperidine-1,4-dicarboxylate
영어명: Ethyl N-Boc-piperidine-4-carboxylate
분자식: C13H23NO4
분자량: 257.33

이름 및 동의어

1-tert-butyl 4-ethyl piperidine-1,4-dicarboxylateRefChem:436668629-436-5142851-03-4Ethyl N-Boc-piperidine-4-carboxylateethyl n-boc-4-piperidinecarboxylateMFCD017639981-O-tert-butyl 4-O-ethyl piperidine-1,4-dicarboxylate1-boc-piperidine-4-carboxylic acid ethyl ester1,4-Piperidinedicarboxylic acid, 1-(1,1-dimethylethyl) 4-ethyl esterEthyl 1-tert-Butoxycarbonylpiperidine-4-carboxylateEthyl 1-(tert-butoxycarbonyl)-4-piperidinecarboxylate

이름 더 보기

N-BOC-4-CARBETHOXY PIPERIDINEEthyl-N-BOC-4-Piperidine-4-CarboxylatecalboxylateBUTTPARK 153\33-501-Boc-piperidine-4-carboxyL

Ethyl 1-(tert-Butyloxycarbonyl)isonipecotate1-boc-isonipecotic acid ethyl esterO1-tert-butyl O4-ethyl piperidine-1,4-dicarboxylate1-(tert-butyl) 4-ethyl piperidine-1,4-dicarboxylate1-(1,1-dimethylethyl) 4-ethyl 1,4-piperidinedicarboxylateethyl n-boc-isonipecotatePiperidine-1,4-dicarboxylic acid 1-tert-butyl ester 4-ethyl esterethyl 1-boc-piperidine-4-carboxylate

데이터베이스 식별자

CAS: 142851-03-4
PubChem CID: 2758812
DTXSID: DTXSID20374497
ChEMBL: CHEMBL3181993
UNII: 5G4JM9GPU2
EC Number: 629-436-5
Nikkaji: J1.745.648B

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 55.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 5
무거운 원자 수: 18
형식 전하: 0
복잡도: 301

물리화학적 성질

끓는 점: 120 · 120-135 °C/0.5 mmHg
밀도: 1.046 g/mL · 1.046 g/mL at 25 °C
굴절률: 20 · n20/D 1.458
인화점: 230 °F · >230 °F
저장 조건: 2 · Inert atmosphere,2-8°C
용해도: 클로로포름, 에틸아세테이트에 용해됨
산도 계수 (pKa): -2.23 · -2.23±0.40(Predicted)
물리적 상태: 액체
색상: 무색~담황색 투명
InChI: InChI=1S/C13H23NO4/c1-5-17-11(15)10-6-8-14(9-7-10)12(16)18-13(2,3)4/h10H,5-9H2,1-4H3
InChIKey: MYHJCTUTPIKNAT-UHFFFAOYSA-N
SMILES: N1(C(OC(C)(C)C)=O)CCC(C(OCC)=O)CC1

화학적 성질

Liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 2.2% (1 of 46) of reports.

Danger

H302 (89.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (89.1%)

안전 데이터

wgk: 3
HS 번호: 29333990
risk_code: 22-37/38-41
hazard_code: Xn
safety_code: 26-39
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 1건

용도Ethyl N-Boc-piperidine-4-carboxylate is used as a reagent to synthesize 3-amino-1-(5-indanyloxy)-2-propanol derivatives as sodium channel blockers to treat stroke patients. Ethyl N-Boc-piperidine-4-carboxylate is also used as a reagent to prepare inhibitors of tumour necrosis factor alpha-converting enzyme.