tert-Butyl piperazine-1-carboxylate (HCID 143452)

이름 및 식별자

우선 이름: tert-Butyl piperazine-1-carboxylate
IUPAC: tert-butyl piperazine-1-carboxylate
영어명: 1-BOC-Piperazine
분자식: C9H18N2O2
분자량: 186.25

이름 및 동의어

1-Boc-piperazine57260-71-6tert-butyl piperazine-1-carboxylateN-Boc-piperazine1-(tert-Butoxycarbonyl)piperazineN-t-Butoxycarbonylpiperazine1-piperazinecarboxylic acid, 1,1-dimethylethyl estert-butyl piperazine-1-carboxylateLBC2X3S28CDTXSID30205884EC 611-489-0RefChem:896481

이름 더 보기

BOC-PIPERAZINEN-(TERT-BUTYLOXYCARBONYL)-PIPERAZINETERT-BUTYL TETRAHYDROPYRAZINE-1(2H)-CARBOXYLATEPIBOC

DTXCID60128375611-489-0InChI=1/C9H18N2O2/c1-9(2,3)13-8(12)11-6-4-10-5-7-11/h10H,4-7H2,1-3Htert-Butyl 1-piperazinecarboxylate1-N-Boc-piperazineMFCD00075265piperazine-1-carboxylic acid tert-butyl esterN-tert-butoxycarbonylpiperazine

데이터베이스 식별자

CAS: 57260-71-6
PubChem CID: 143452
DTXSID: DTXSID30205884
ChEMBL: CHEMBL6176768
UNII: LBC2X3S28C
EC Number: 611-489-0
Nikkaji: J393.816F

물성

구조 계산 물성

XLogP: 0.5
극성 표면적: 41.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 181

물리화학적 성질

녹는점: 43 · 43-47 °C(lit.)
끓는 점: 98 · 98-100
밀도: 1.03 · 1.030±0.06 g/cm3(Predicted)
인화점: 230 °F · >230 °F
저장 조건: 2 · Keep in dark place,Inert atmosphere,2-8°C
용해도: DMSO에 용해됨
산도 계수 (pKa): 8.45 · 8.45±0.10(Predicted)
물리적 상태: 저융점 결정질 덩어리
색상: 흰색에서 밝은 노란색
수용성: 에틸 아세테이트, 메탄올 및 물에 용해됩니다.
BRN: 879985 · 879985
InChI: 1S/C9H18N2O2/c1-9(2,3)13-8(12)11-6-4-10-5-7-11/h10H,4-7H2,1-3H3
InChIKey: CWXPZXBSDSIRCS-UHFFFAOYSA-N
SMILES: CC(C)(C)OC(=O)N1CCNCC1
NIST: 1 · T-butyl 1-piperaziencarboxylate(57260-71-6)

화학적 성질

Waxy Solid

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 14.1% (10 of 71) of reports.

Warning

H315 (76.1%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (73.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (74.6%): 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 71 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 10 of 71 reports by companies.；There are 14 notifications provided by 61 of 71 reports by companies with hazard statement code(s).；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

Regulatory Information · 1건

Status: Active Update: 27-09-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/17850；Status: Active Update: 18-09-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/16530；Status: Active Update: 30-04-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/6089

Hazard Classes and CategoriesSkin Irrit. 2 (76.1%)；Eye Irrit. 2 (73.2%)；STOT SE 3 (74.6%)

규제 정보

Regulatory Information · 1건

Status: Active Update: 27-09-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/17850；Status: Active Update: 18-09-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/16530；Status: Active Update: 30-04-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/6089

안전 데이터

wgk: 3
ridadr: 3263
HS 번호: 29335995
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
위험 등급: IRRITANT
F 고인화성물질: 3-10-34
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도1-Boc-piperazine undergoes Buchwald-Hartwig amination with various aryl halides to form corresponding amine derivatives. It can be used to synthesize monosubstituted piperazine intermediates of many bioactive molecules and piperazine containing drug substances, such as trazodone.

일반 설명1-Boc-piperazine is an N-Boc protected piperazine. Crosscoupling of 1-Boc-piperazine with aryl iodides using CuBr/1,1′-bi-2-naphthol (catalyst) and K3PO4 (base) has been reported. 1-Boc-piperazine undergoes Buchwald-Hartwig coupling reactions with aryl halides. 1-Boc-piperazine can be prepared in 80% yield via solvent-free N-Boc protection catalyzed by iodine.

상·하류 제품 정보

상류 원료

에틸알코올 디 -Tert- 부틸 디 카보네이트 피페라진 디클로로메탄 메틸알콜 수산화나트륨 석유 에테르

하류 제품

TERT-부틸4-(5-FORMYLPYRID-2-YL)PIPERAZINE-1-CARBOXYLATE Piperazine-1,4-dicarboxylic acid tert-butyl ester methyl ester 1-(2-메톡시에틸)피페라진 1-(Cyclopropylmethyl)piperazine tert-Butyl 4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxylate ,97%4-(2-포르밀페닐)피페라진-1-카르복실산tert-부틸에스테르 1-BOC-4-(4-포밀페닐)피페라진 1-(2-피라지닐)-피페라진 3-클로로페닐피페라진 N-Boc-4-(사이클로프로필메틸)피페라진 1303512-02-8 4-(2-브로모-페닐)-피페라진-1-카르복실산tert-부틸에스테르

공급사50 곳

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

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

南京一化生物科技有限公司13429882898; 13429882898

INTATRADE GmbH+49 3493/605464 · [email protected]

T&W GROUP021-61551611 13296011611 · [email protected]

연결된 노트

불러오는 중…

tert-Butyl piperazine-1-carboxylate

기본 정보