(S)-4-N-Boc-피페라진-2-카르복실산메틸에스테르

1-tert-butyl 3-methyl (3S)-piperazine-1,3-dicarboxylate

HCID 1501855

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 314741-39-4
표준 SMILES: COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1
InChIKey: QUKAHFCVKNRRBU-QMMMGPOBSA-N
분자식: C11H20N2O4
평균 분자량: 244.29 g/mol
단동위원소 질량: 244.14230712

이름 및 식별자

우선 이름: 1-tert-butyl 3-methyl (3S)-piperazine-1,3-dicarboxylate
IUPAC: 1-O-tert-butyl 3-O-methyl (3S)-piperazine-1,3-dicarboxylate
현지명: (S)-4-N-Boc-피페라진-2-카르복실산메틸에스테르
영어명: (S)-4-N-Boc-piperazine-2-carboxylic acid methyl ester
분자식: C11H20N2O4
분자량: 244.29

이름 및 동의어

314741-39-41-tert-butyl 3-methyl (3S)-piperazine-1,3-dicarboxylateDTXSID00363541RefChem:436634DTXCID503145881-(1,1-dimethylethyl) 3-methyl (3s)-1,3-piperazinedicarboxylate674-834-4(S)-1-N-BOC-PIPERAZINE-3-CARBOXYLIC ACID METHYL ESTER(S)-4-N-BOC-PIPERAZINE-2-CARBOXYLIC ACID METHYL ESTER(s)-1-tert-butyl 3-methyl piperazine-1,3-dicarboxylateMethyl (S)-4-Boc-piperazine-2-carboxylateMFCD04115326

이름 더 보기

(S)-4-N-Boc-피페라진-2-카르복실산메틸에스테르(S)-4-Boc-piperazine-2-carboxylic aMethyl (S)-1-Boc-piperazine-3-carboxylateS-1-Boc-piperazine-3-carboxylic acid Methyl ester(S)-N-Boc-3-piperazinecarboxylic acid Methyl ester(S)-tert-butyl methyl piperazine-1,3-dicarboxylate(S)-4-Boc-Piperazine-2-carboxylic acid methyl ester(S)-N4-BOC-PIPERAZINE-2-CARBOXYLIC ACID METHYL ESTER

1-O-tert-butyl 3-O-methyl (3S)-piperazine-1,3-dicarboxylate1-(tert-butyl) 3-methyl (S)-piperazine-1,3-dicarboxylate(S)-Piperazine-1,3-dicarboxylic acid 1-tert-butyl ester 3-methyl esterSCHEMBL24940QUKAHFCVKNRRBU-QMMMGPOBSA-NO1-tert-butyl O3-methyl (3S)-piperazine-1,3-dicarboxylateCS-D0653AKOS005258554

데이터베이스 식별자

CAS: 314741-39-4
PubChem CID: 1501855
DTXSID: DTXSID00363541
EC Number: 674-834-4

물성

구조 계산 물성

XLogP: 0.4
극성 표면적: 67.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 4
무거운 원자 수: 17
형식 전하: 0
복잡도: 298

물리화학적 성질

끓는 점: 321.3 · 321.3±37.0 °C(Predicted)
밀도: 1.118 · 1.118±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
산도 계수 (pKa): 6.45 · 6.45±0.40(Predicted)
InChI: InChI=1S/C11H20N2O4/c1-11(2,3)17-10(15)13-6-5-12-8(7-13)9(14)16-4/h8,12H,5-7H2,1-4H3/t8-/m0/s1
InChIKey: QUKAHFCVKNRRBU-QMMMGPOBSA-N
SMILES: N1(C(OC(C)(C)C)=O)CCN[C@H](C(OC)=O)C1

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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

HS 번호: 2933599590

화학 및 산업

상·하류 제품 정보

상류 원료

1,2,4-Piperazinetricarboxylic acid,4-(1,1-dimethylethyl)2-methyl1-(phenylmethyl)ester,(2S)-메틸알콜 수소

하류 제품

(S)-4-N-Boc-2-(히드록시메틸)피페라진

공급사100 곳

苏州道澜生物医药科技有限公司15952404857 · [email protected]

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]

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

苏州启航生物科技有限公司18151111370 · [email protected]

화합물 노트

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