N-Boc-피페리딘-4-카르복실산메틸에스테르

1-N-Boc-4-Piperidinecarboxylic acid methyl ester

HCID 392870CAS 124443-68-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COC(=O)C1CCN(C(=O)OC(C)(C)C)CC1
InChIKey: PTZNCCIULVXFIJ-UHFFFAOYSA-N
분자식: C12H21NO4
평균 분자량: 243.3 g/mol
단동위원소 질량: 243.14705815

이름 및 식별자

우선 이름: 1-N-Boc-4-Piperidinecarboxylic acid methyl ester
IUPAC: 1-O-tert-butyl 4-O-methyl piperidine-1,4-dicarboxylate
현지명: N-Boc-피페리딘-4-카르복실산메틸에스테르
영어명: N-Boc-Piperidine-4-carboxylic acid methyl ester
분자식: C12H21NO4
분자량: 243.3

이름 및 동의어

1-N-Boc-4-piperidinecarboxylic acid methyl ester1-(1,1-dimethylethyl) 4-methyl 1,4-piperidinedicarboxylateRefChem:434711672-394-8124443-68-1N-Boc-piperidine-4-carboxylic acid methyl ester1-tert-butyl 4-methyl piperidine-1,4-dicarboxylateMFCD021835841,4-Piperidinedicarboxylic acid, 1-(1,1-dimethylethyl) 4-methyl esterMethyl N-Boc-4-piperidinecarboxylatemethyl n-boc-piperidine-4-carboxylateNSC693923

이름 더 보기

N-Boc-피페리딘-4-카르복실산메틸에스테르tert-Butyl methyl piperidine-1,4-dicarboxylateic acid methyLN-Boc-4-MethylpiperidineN-boc-4-methylpiperidinateN-Boc-Piperidine-4-carboxyLN-Boc- Piperidine-4-carboxylateMethyl-boc-piperidine-4-carboxylateN-Boc-Isonipecotic acid methyl esterN-BOC-4-METHYL PIPERIDINECARBOXYLATE

1-O-tert-butyl 4-O-methyl piperidine-1,4-dicarboxylateO1-tert-butyl O4-methyl piperidine-1,4-dicarboxylateSY0022841-(tert-Butoxycarbonyl)-4-piperidinecarboxylic Acid Methyl Ester1-Boc-4-piperidinecarboxylic Acid Methyl EsterMethyl 1-(tert-Butoxycarbonyl)-4-piperidinecarboxylatePiperidine-1,4-dicarboxylic Acid 1-tert-Butyl 4-Methyl1-(tert-butyl) 4-methyl tetrahydro-1,4(2h)-pyridinedicarboxylate

데이터베이스 식별자

CAS: 124443-68-1
PubChem CID: 392870
DTXSID: DTXSID20327847
ChEMBL: CHEMBL2003081
EC Number: 672-394-8
Nikkaji: J1.530.224K

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 55.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 17
형식 전하: 0
복잡도: 287

물리화학적 성질

녹는점: 33 to · 33.0 to 37.0 °C
끓는 점: 307.4 · 307.4±35.0 °C(Predicted)
밀도: 1.094 · 1.094±0.06 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
용해도: 메탄올에 용해됨
물리적 상태: powder to lump
산도 계수 (pKa): -2.29 · -2.29±0.40(Predicted)
색상: 흰색에서 밝은 노란색
InChI: InChI=1S/C12H21NO4/c1-12(2,3)17-11(15)13-7-5-9(6-8-13)10(14)16-4/h9H,5-8H2,1-4H3
InChIKey: PTZNCCIULVXFIJ-UHFFFAOYSA-N
SMILES: N1(C(OC(C)(C)C)=O)CCC(C(OC)=O)CC1

화학적 성질

White solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 16-02-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33136

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

HS 번호: 29333990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
위험 등급: IRRITANT

화학 및 산업

상·하류 제품 정보

상류 원료

메틸알콜 메틸이소니페코트 디 -Tert- 부틸 디 카보네이트 N-BOC-piperidine-4-carboxylic acid 이소니페코틱산 (Trimethylsilyl)diazomethane 석유 에테르 아세토나이트릴

하류 제품

tert-Butyl 9-oxo-3-azaspiro[5.5]undecane-3-carboxylate 2-(4-피페리딜)-2-프로판올 1-Boc-4-[메톡시(메틸)카바모일]피페리딘 1-tert-butyl 4-methyl 4-(chloromethyl)piperidine-1,4-dicarboxylate TERT-부틸4-(아미노카보닐)테트라하이드로피리딘-1(2H)-카복실레이트 1,4-피페리딘디카르복실산,4-에틸-,1-(1,1-디메틸에틸)4-메틸에스테르 1-BOC-4-ETHYL-4-FORMYL-피페리딘 N-BOC-piperidine-4-carboxylic acid

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

烟台宇晨生物医药有限公司0535-7295056 15692356085 · [email protected]

河北展药生物科技有限公司15369953316 +8615369953316 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

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