메틸1-BOC-4-피페리딘아세테이트

tert-Butyl 4-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate

HCID 1514280

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 175213-46-4
표준 SMILES: COC(=O)CC1CCN(C(=O)OC(C)(C)C)CC1
InChIKey: ADFSCQGCEAKLOE-UHFFFAOYSA-N
분자식: C13H23NO4
평균 분자량: 257.33 g/mol
단동위원소 질량: 257.16270822

이름 및 식별자

우선 이름: tert-Butyl 4-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate
IUPAC: tert-butyl 4-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate
현지명: 메틸1-BOC-4-피페리딘아세테이트
영어명: METHYL 1-BOC-4-PIPERIDINEACETATE
분자식: C13H23NO4
분자량: 257.33

이름 및 동의어

175213-46-4tert-butyl 4-(2-methoxy-2-oxoethyl)piperidine-1-carboxylateDTXSID70363831RefChem:1099541DTXCID20314878Methyl 1-Boc-4-piperidineacetateN-Boc-piperidin-4-yl-acetic acid methyl esterMethyl 1-N-Boc-4-piperidineacetate4-Piperidineacetic acid, 1-[(1,1-dimethylethoxy)carbonyl]-, methyl esterMFCD016325291-Boc-4-piperidineacetic acid methyl esterMethyl 1-Boc-4-piperidine acetate

이름 더 보기

메틸1-BOC-4-피페리딘아세테이트Methyl-1-Bocpiperidine-4-acetateMethyl N-Boc-4-piperidineacetateMethyl N-Boc-4-piperidinylacetateN-BOC-4-PIPERIDINEACETIC ACID METHYL ESTER1-Boc-4-Piperidine acetic acid methyl ester

PB27541EN300-783070Methyl (1-tert-butoxycarbonylpiperidin-4-yl)acetatet-Butyl 4-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate4-METHOXYCARBONYLMETHYL-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTERtert-butyl 4-(2-methoxy-2-oxo-ethyl)piperidine-1-carboxylate1-Boc-4-Piperidine acetate methyl esterMETHYL N-BOC-PIPERIDINE-4-ACETATE

데이터베이스 식별자

CAS: 175213-46-4
PubChem CID: 1514280
DTXSID: DTXSID70363831

물성

구조 계산 물성

XLogP: 1.7
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: 323.1 · 323.1±15.0 °C(Predicted)
밀도: 1.062 · 1.062±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): -1.88 · -1.88±0.40(Predicted)

화학적 성질

White powder

안전 및 규제

안전 데이터

HS 번호: 29333990

화학 및 산업

응용 분야

용도Methyl 1-Boc-4-piperidineacetate is used as a pharmaceutical intermediate. It can be used in the preparation of intranasal pharmaceutical compositions of CGRP inhibitors for the treatment of migraine.