HCID15815995

Methyl 1-tert-butyloxycarbonyl-4-oxopyrrolidine-3-carboxylate

1-O-tert-butyl 3-O-methyl 4-oxopyrrolidine-1,3-dicarboxylate

C11H17NO5243.26 g/molCAS 194924-95-3

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IDENTITY

结构与身份

标准SMILES: COC(=O)C1CN(C(=O)OC(C)(C)C)CC1=O
InChIKey: LFGDBJLQEQWSDA-UHFFFAOYSA-N
分子式: C11H17NO5
平均分子量: 243.26 g/mol
单同位素质量: 243.11067264

COMPUTED

结构计算性质

已同步

XLogP: 0.8
极性表面积: 72.9 Å²
氢键供体: 0
氢键受体: 5
可旋转键: 4
重原子: 17
形式电荷: 0
复杂度: 344

GHS

GHS分类

来源：PubChem

GHS Classification

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

ALIASES

名称与别名

共 25 条

METHYL 1-TERT-BUTYLOXYCARBONYL-4-OXOPYRROLIDINE-3-CARBOXYLATERefChem:812779890-391-1194924-95-31-tert-Butyl 3-methyl 4-oxopyrrolidine-1,3-dicarboxylateMFCD110523771-O-tert-butyl 3-O-methyl 4-oxopyrrolidine-1,3-dicarboxylate1-(tert-butyl) 3-methyl 4-oxopyrrolidine-1,3-dicarboxylate1,3-Pyrrolidinedicarboxylic acid, 4-oxo-, 1-(1,1-diMethylethyl) 3-Methyl ester1-(1,1-Dimethylethyl) 3-methyl 4-oxo-1,3-pyrrolidinedicarboxylateO1-tert-butyl O3-methyl 4-oxopyrrolidine-1,3-dicarboxylateSCHEMBL27324081-tert-Butyl3-methyl4-oxopyrrolidine-1,3-dicarboxylateDTXSID30578540LFGDBJLQEQWSDA-UHFFFAOYSA-NSBB099710AKOS016001858CS-16501SY114066CS-0099103

REACTIONS

参与反应

2 条

uspto-grants-2016_09 · 10.6084/m9.figshare.5104873.v1 · US09440995B2

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uspto-grants-2016_01 · 10.6084/m9.figshare.5104873.v1 · US09233985B2

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