메틸4-BOC-피페라진-2-카르복실레이트

1-tert-Butyl 3-methyl piperazine-1,3-dicarboxylate

HCID 2756819
노트반응
부분 구조 검색유사 구조 찾기

기본 정보

CAS
129799-08-2
표준 SMILES
COC(=O)C1CN(C(=O)OC(C)(C)C)CCN1
InChIKey
QUKAHFCVKNRRBU-UHFFFAOYSA-N
분자식
C11H20N2O4
평균 분자량
244.29 g/mol
단동위원소 질량
244.14230712

이름 및 식별자

우선 이름
1-tert-Butyl 3-methyl piperazine-1,3-dicarboxylate
IUPAC
1-O-tert-butyl 3-O-methyl piperazine-1,3-dicarboxylate
현지명
메틸4-BOC-피페라진-2-카르복실레이트
영어명
Methyl 4-Boc-piperazine-2-carboxylate
분자식
C11H20N2O4
분자량
244.29

이름 및 동의어

129799-08-21-tert-butyl 3-methyl piperazine-1,3-dicarboxylateDTXSID80373562RefChem:235343DTXCID80324594672-492-0Methyl 4-Boc-piperazine-2-carboxylateN-4-Boc-2-piperazinecarboxylic acid methyl ester1-N-BOC-PIPERAZINE-3-CARBOXYLIC ACID METHYL ESTER1,3-Piperazinedicarboxylic acid, 1-(1,1-dimethylethyl) 3-methyl esterMFCD016324651-O-tert-butyl 3-O-methyl piperazine-1,3-dicarboxylate
이름 더 보기
메틸4-BOC-피페라진-2-카르복실레이트METHYL 4N-BOC-PIPERAZINE-2-CARBOXYLATEMethyl (±)-4-Boc-piperazine-2-carboxylate1-Boc-piperazine-3-carboxylic acid Methyl ester4N-BOC-PIPERAZINE-2-CARBOXYLIC ACID METHYL ESTER4-Boc-2-Piperazinecarboxylic acid methyl ester1-TERT-BUTYL-3-METHYL-PIPERAZINE-1,3-DICARBOXYLATE4-N-BOC-PIPERAZINE-2-CRBOXYLIC ACID METHYL ESTER-HCl
Piperazine-1,3-dicarboxylic acid 1-tert-butyl ester 3-methyl ester1-(tert-butyl) 3-methyl piperazine-1,3-dicarboxylateMethyl ( inverted exclamation markA)-4-Boc-piperazine-2-carboxylatetert-butyl 3-(methoxycarbonyl)piperazinecarboxylate1-tert-butyl 3-methyl 1,3-piperazinedicarboxylateTert-butyl Methyl Piperazine-1,3-dicarboxylateO1-tert-butyl O3-methyl piperazine-1,3-dicarboxylateSCHEMBL1350453

데이터베이스 식별자

CAS
129799-08-2
PubChem CID
2756819
DTXSID
DTXSID80373562
EC Number
672-492-0

물성

구조 계산 물성

XLogP
0.4
극성 표면적
67.9 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
5
회전 가능 결합 수
4
무거운 원자 수
17

물리화학적 성질

녹는점
159 · 159-160 °C
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
용해도
디메틸설폭사이드에 용해됩니다.
산도 계수 (pKa)
6.45 · 6.45±0.40(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

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, 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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

안전 데이터

HS 번호
2933599590
risk_code
36/37/38
safety_code
26-36/37/39

화학 및 산업

응용 분야

용도It is used as pharmaceutical intermediate.

상·하류 제품 정보

공급사100 곳

苏州道澜生物医药科技有限公司15952404857 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [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]

관련 반응

19건
반응 기록 만들기

화합물 노트

불러오는 중…