CAS 57260-71-6 tert-Butyl piperazine-1-carboxylate (HCID 143452)

名称と識別子

優先名称: tert-Butyl piperazine-1-carboxylate
IUPAC: tert-butyl piperazine-1-carboxylate
現地名: 1-(tert-ブトキシカルボニル)ピペラジン
英語名: 1-BOC-Piperazine
分子式: C9H18N2O2
分子量: 186.25

名称と別名

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

名称をさらに表示

1-(tert-ブトキシカルボニル)ピペラジン1-Boc-ピペラジンピペラジン-1-カルボン酸 tert-ブチルN‐BOC‐ピペラジンN-BOC-ピペラジンtert-ブチルピペラジン-1-カルボキシラート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

データベース識別子

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

物性

構造計算による物性

XLogP: 0.5
極性表面積: 41.6 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 13
形式電荷: 0
複雑度: 181

物理化学的性質

融点: 43 · 43-47 °C(lit.)
沸点: 98 · 98-100
比重(密度): 1.03 · 1.030±0.06 g/cm3(Predicted)
闪点: 230 °F · >230 °F
貯蔵温度: 2 · Keep in dark place,Inert atmosphere,2-8°C
溶解性: Soluble in DMSO
酸解離定数(Pka): 8.45 · 8.45±0.10(Predicted)
外見: 低融点結晶質量
色: 白色～淡黄色
水溶解度: 酢酸エチル、メタノール、水に可溶。
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
CAS データベース: 57260 · 57260-71-6(CAS DataBase Reference)
NISTの化学物質情報: 1 · T-butyl 1-piperaziencarboxylate(57260-71-6)

化学的性質

化学的特性Waxy Solid

安全と法規制

GHS分類

GHS Classification · 6 件

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.

危険有害性情報

Regulatory Information · 1 件

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%)

法規制情報

Regulatory Information · 1 件

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

安全データ

F: 3-10-34
wgk: 3
ridadr: 3263
hs_code: 29335995
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 4 件

用途有機合成原料。

用途医薬中間体.

使用1-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.

一般的な説明1-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.

上流・下流製品情報

上流原料

エタノール二炭酸ジ-tert-ブチルピペラジンジクロロメタンメタノール水酸化ナトリウムリグロイン

下流製品

tert-Butyl 4-(5-formylpyrid-2-yl)piperazine-1-carboxylate Piperazine-1,4-dicarboxylic acid tert-butyl ester methyl ester 1-(2-メトキシエチル)ピペラジン 1-(Cyclopropylmethyl)piperazine tert-Butyl 4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxylate ,97%1-BOC-4-(2-ホルミルフェニル)ピペラジン 4-(4-ホルミルフェニル)テトラヒドロ-1(2H)-ピラジンカルボン酸TERT-ブチル 2-ピペラジノピラジン 1-(3-クロロフェニル)ピペラジン N-Boc-4-(Cyclopropylmethyl)piperazine 1303512-02-8 4-(2-ブロモフェニル)ピペラジン-1-カルボン酸TERT-ブチル

サプライヤー100 社

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]

化合物ノート

読み込み中…

1-(tert-ブトキシカルボニル)ピペラジン

基本情報