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结构：CC(C)(C)OC(=O)N1C(=O)CC[C@H]1C(=O)OCc1ccccc1
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
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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 Ų
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

7 条
全部作为反应物作为生成物作为试剂作为催化剂作为溶剂