1-tert-Butyl 2-methyl 4-oxopyrrolidine-1,2-dicarboxylate

HCID 4251853

ノート反応

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基本情報

CAS: 362706-26-1
標準SMILES: COC(=O)C1CC(=O)CN1C(=O)OC(C)(C)C
InChIKey: UPBHYYJZVWZCOZ-UHFFFAOYSA-N
分子式: C11H17NO5
平均分子量: 243.26 g/mol
単同位体質量: 243.11067264

名称と識別子

優先名称: 1-tert-Butyl 2-methyl 4-oxopyrrolidine-1,2-dicarboxylate
IUPAC: 1-O-tert-butyl 2-O-methyl 4-oxopyrrolidine-1,2-dicarboxylate
英語名: 4-Oxo-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester
分子式: C11H17NO5
分子量: 243.26

名称と別名

362706-26-11-tert-Butyl 2-methyl 4-oxopyrrolidine-1,2-dicarboxylateDTXSID30401243RefChem:436611DTXCID20352098889-656-44-Oxo-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl esterN-Boc-4-oxo-L-proline methyl esterMFCD037013201-O-tert-butyl 2-O-methyl 4-oxopyrrolidine-1,2-dicarboxylate1-(tert-Butyl) 2-methyl 4-oxopyrrolidine-1,2-dicarboxylate1,2-Pyrrolidinedicarboxylic acid, 4-oxo-, 1-(1,1-dimethylethyl) 2-methyl ester

名称をさらに表示

N-Boc-4-oxo-proline methyl esterN-Boc-4-oxo-DL-proline Methyl Ester1-tert-butyl 2-methyl 4-oxopyrrolidine-1,2-dicarboxylate(WX191708)1-(tert-Butyl) 2-methyl 4-oxopyrrolidine-1,2-dicarboxylate - [B93921]4-Oxo-1,2-pyrrolidinedicarboxylic acid 1-(1,1-dimethylethyl) 2-methyl ester

1-tert-Butyl2-methyl4-oxopyrrolidine-1,2-dicarboxylateSY191883methyl 1-(tert-butoxycarbonyl)-4-oxopyrrolidine-2-carboxylatemethyl 1-(tert-butoxycarbonyl)-4-oxopyrrolidine-2carboxylate1-O-tert-butyl 2-O-methyl (2R)-4-oxopyrrolidine-1,2-dicarboxylateSCHEMBL719489UPBHYYJZVWZCOZ-UHFFFAOYSA-NO1-tert-butyl O2-methyl 4-oxopyrrolidine-1,2-dicarboxylate

データベース識別子

CAS: 362706-26-1
PubChem CID: 4251853
DTXSID: DTXSID30401243
EC Number: 889-656-4

物性

構造計算による物性

XLogP: 0.6
極性表面積: 72.9 Å²
水素結合供与体数: 0
水素結合受容体数: 5
回転可能結合数: 4
重原子数: 17
形式電荷: 0
複雑度: 344

物理化学的性質

沸点: 333.1 · 333.1±42.0 °C(Predicted)
比重(密度): 1.209 · 1.209±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
酸解離定数(Pka): -3.86 · -3.86±0.40(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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.