3-N-叔丁氧羰基胺基环丁胺 (HCID 1519405)

名称与标识

首选名称: 3-Aminoazetidine, 3-BOC protected
IUPAC: tert-butyl N-(azetidin-3-yl)carbamate
中文名: 3-N-叔丁氧羰基胺基环丁胺
英文名: 3-N-Boc-amino-azetidine
分子式: C8H16N2O2
分子量: 172.22

名称与别名

3-aminoazetidine, 3-boc protectedRefChem:497695676-108-291188-13-5tert-Butyl azetidin-3-ylcarbamate3-N-Boc-amino-azetidine3-(boc-amino)azetidineTert-butyl N-(azetidin-3-yl)carbamate3-Boc-aminoazetidine3-N-Boc-aminoazetidine3-(n-boc-amino)azetidineMFCD01861759

展开更多名称

3-N-BOC胺基环丁胺环丁胺-3-叔丁氧羰基氨基3-(BOC-氨基)环丁胺3-n-boc-氨基-吖啶3-BOC-氨基氮杂环丁烷3-BOC-3-氨基环丁胺3-N-BOC-氨基-环丁胺3-叔丁氧羰基氨基氮杂环丁烷3-N-叔丁氧羰基胺基环丁胺3-BOC-氨基氮杂环丁二烯Azetidin-3-yl-carbamic acid tert-butyl ester HCl3-Boc-Aaminoazetidine3-BOC-AMINOAZETIDINE 98%3-Boc-aminoazetidine HCl3-N-Boc-Amino-azetidine ,98%tert-butylazetidin-1-ylcarbamate

Azetidin-3-yl-carbamic acid tert-butyl estertert-butyl N-azetidin-3-ylcarbamate3-(tert-butoxycarbonylamino)azetidineCarbamic acid, 3-azetidinyl-, 1,1-dimethylethyl esterEN300-1183913-(BOC-AMINO)-AZETIDINE3-[(tert-Butoxycarbonyl)amino]azetidineSCHEMBL114920

数据库标识

CAS: 91188-13-5
PubChem CID: 1519405
DTXSID: DTXSID50364023
EC Number: 676-108-2
Nikkaji: J3.174.967K

性质

结构计算性质

XLogP: 0.3
极性表面积: 50.4 Å²
氢键供体: 2
氢键受体: 3
可旋转键: 3
重原子: 12
形式电荷: 0
复杂度: 170

物理化学性质

熔点: 63 · 63-72°C
沸点: 268 ℃ · 268℃
密度: 1.06 · 1.06
闪点: 116 ° · 116°(241°F)
储存条件: Keep in dark place,Sealed in dry,Room Temperature
酸度系数(pKa): 12.26 · 12.26±0.40(Predicted)
形态: powder
颜色: White
水溶解性: Soluble in water. (5g/100ml)
InChI: InChI=1S/C8H16N2O2/c1-8(2,3)12-7(11)10-6-4-9-5-6/h6,9H,4-5H2,1-3H3,(H,10,11)
InChIKey: NEMXVXVJGXZDRR-UHFFFAOYSA-N
SMILES: C(OC(C)(C)C)(=O)NC1CNC1
CAS 数据库: 91188 · 91188-13-5(CAS DataBase Reference)

安全与法规

GHS分类

GHS Classification · 5 条

Warning

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (25%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (25%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 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.

危害信息

Hazard Classes and CategoriesAcute Tox. 4 (25%)；Acute Tox. 4 (25%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (25%)；STOT SE 3 (100%)

安全数据

wgk: 3
危险等级: IRRITANT
存储类别: 11 - Combustible Solids
安全说明: 26-36/37/39
海关编码: 2933998090
危险品标志: Xi
危险类别码: 36/37/38-52
危险品运输编号: UN 3077 9 / PGIII

化学与工业

应用领域

用途3-N-叔丁氧羰基胺基环丁胺是一种用途广泛的反应物，用于铜催化的三组分多米诺缩合/ S-芳基化/杂环化反应制备取代苯并噻唑。还用于氨基烟酸磺酰脲类化合物P2Y12受体拮抗剂的合成和药代动力学评估。

制备方法 · 1 条

生产方法以(1-二苯甲基氮杂环丁烷-3-基)氨基甲酸叔丁酯为原料合成3-Boc-氨基氮杂环丁烷的一般步骤：将原料(113 mg, 0.33 mmol)与10% Pd/C催化剂(88 mg)在乙醇(3 mL)中的混合物置于氢气氛下，室温搅拌反应2小时。反应完成后，过滤除去催化剂，滤液经减压浓缩，得到3-Boc-氨基氮杂环丁烷(63 mg)，为白色固体。参考文献：[1] Patent: US2004/147502, 2004, A1. Location in patent: Page/Page column 23; 25[2] Patent: WO2004/112793, 2004, A1. Location in patent: Page/Page column 147

试剂价格

H59556 · 250mg: 3-(Boc-氨基)氮杂环丁烷,98%3-(Boc-amino)azetidine, 98% — 791元
XW029118813503 · 5g: 氮杂环丁烷-3-基氨基甲酸叔丁酯tert-Butyl azetidin-3-ylcarbamate — 298元

供应商50 家

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

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

湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

关联笔记

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3-N-叔丁氧羰基胺基环丁胺

基本信息