HCID8027482

2-Benzyl 1-tert-butyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate

2-O-benzyl 1-O-tert-butyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate

C17H21NO5319.4 g/molCAS 113400-36-5

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准SMILES: CC(C)(C)OC(=O)N1C(=O)CC[C@H]1C(=O)OCc1ccccc1
InChIKey: TZNBTMCEMLXYEM-ZDUSSCGKSA-N
分子式: C17H21NO5
平均分子量: 319.4 g/mol
单同位素质量: 319.14197277

COMPUTED

结构计算性质

已同步

XLogP: 2.4
极性表面积: 72.9 Å²
氢键供体: 0
氢键受体: 5
可旋转键: 6
重原子: 23
形式电荷: 0
复杂度: 462

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.

HAZARDS

危害信息

来源：PubChem

Hazard Classes and Categories

Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

ALIASES

名称与别名

共 40 条

113400-36-52-BENZYL 1-TERT-BUTYL (2S)-5-OXOPYRROLIDINE-1,2-DICARBOXYLATEDTXSID40429019RefChem:465611DTXCID903798531-(1,1-Dimethylethyl) 2-(phenylmethyl) (2S)-5-oxo-1,2-pyrrolidinedicarboxylate601-251-4Boc-Pyr-Obzl(S)-2-Benzyl 1-tert-butyl 5-oxopyrrolidine-1,2-dicarboxylateBoc-L-Pyroglutamic acid benzyl esterMFCD041157811,2-Pyrrolidinedicarboxylic acid, 5-oxo-, 1-(1,1-dimethylethyl) 2-(phenylmethyl) ester, (2S)-2-benzyl 1-(tert-butyl) (S)-5-oxopyrrolidine-1,2-dicarboxylate2-O-benzyl 1-O-tert-butyl (2S)-5-oxopyrrolidine-1,2-dicarboxylateBoc-pyroglutamic acid benzyl esterN-Boc-L-pyroglutamic acid benzyl esterbenzyl N-boc-l-pyroglutamateSCHEMBL842288CHEMBL4986595TZNBTMCEMLXYEM-ZDUSSCGKSA-N

REACTIONS

参与反应

9 条

uspto-grants-2011_03 · 10.6084/m9.figshare.5104873.v1 · US07910774B2

查看

uspto-grants-2011_03 · 10.6084/m9.figshare.5104873.v1 · US07910774B2

查看

uspto-grants-2005_10 · 10.6084/m9.figshare.5104873.v1 · US06953801B2

查看

uspto-grants-2012_03 · 10.6084/m9.figshare.5104873.v1 · US08143416B2

查看

uspto-grants-2012_03 · 10.6084/m9.figshare.5104873.v1 · US08143416B2

查看

uspto-grants-2013_06 · 10.6084/m9.figshare.5104873.v1 · US08471004B2

查看

uspto-grants-2007_07 · 10.6084/m9.figshare.5104873.v1 · US07241765B2

查看

uspto-grants-2007_01 · 10.6084/m9.figshare.5104873.v1 · US07157487B2

查看