ピロリジン-1,2-ニカルボン酸1-TERT-ブチル2-メチル

1-Tert-butyl 2-methyl pyrrolidine-1,2-dicarboxylate

HCID 394147CAS 145681-01-2

部分構造検索類似構造を探す

基本情報

標準SMILES: COC(=O)C1CCCN1C(=O)OC(C)(C)C
InChIKey: WVDGSSCWFMSRHN-UHFFFAOYSA-N
分子式: C11H19NO4
平均分子量: 229.27 g/mol
単同位体質量: 229.13140809

名称と識別子

優先名称: 1-Tert-butyl 2-methyl pyrrolidine-1,2-dicarboxylate
IUPAC: 1-O-tert-butyl 2-O-methyl pyrrolidine-1,2-dicarboxylate
現地名: ピロリジン-1,2-ニカルボン酸1-TERT-ブチル2-メチル
英語名: Pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester
分子式: C11H19NO4
分子量: 229.27

名称と別名

145681-01-21-tert-butyl 2-methyl pyrrolidine-1,2-dicarboxylateDTXSID60327861RefChem:235332DTXCID30278972849-128-6Methyl 1-Boc-2-pyrrolidinecarboxylatePyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester1,2-Pyrrolidinedicarboxylic acid, 1-(1,1-dimethylethyl) 2-methyl esterMFCD03762834NSC6973811-O-tert-butyl 2-O-methyl pyrrolidine-1,2-dicarboxylate

名称をさらに表示

ピロリジン-1,2-ニカルボン酸1-TERT-ブチル2-メチル1-tert-Butyl 2-methyl pyrrolidine-1,2-dicarbo...t-BOC-L-Pro-OMeBoc-DL-Pro-OMe-OH1-Boc-2-methyl pyrrolidineBoc-DL-proline Methyl esterMethyl 1-Boc-pyrrolidine-2-carboxylate1-Boc-2-pyrrolidinecarboxylic acid Methyl ester1-(tert-Butyl) 2-methyl 1,2-pyrrolidinedicarboxylate

1-Boc-L-proline Methyl EsterO1-tert-butyl O2-methyl pyrrolidine-1,2-dicarboxylateMETHYL N-BOC-PYRROLIDINE-2-CARBOXYLATE(S)-1-tert-Butyl 2-methyl pyrrolidine-1,2-dicarboxylate1-(tert-butyl) 2-methyl pyrrolidine-1,2-dicarboxylateBoc-DL-Pro-OMeBoc-L-proline methyl esterSCHEMBL190042

データベース識別子

CAS: 145681-01-2
PubChem CID: 394147
DTXSID: DTXSID60327861
ChEMBL: CHEMBL2001025
EC Number: 849-128-6
Nikkaji: J1.907.456K

物性

構造計算による物性

XLogP: 1.6
極性表面積: 55.8 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 4
重原子数: 16
形式電荷: 0
複雑度: 282

物理化学的性質

沸点: 288.6 · 288.6±33.0 °C(Predicted)
比重(密度): 1.12 · 1.120±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
酸解離定数(Pka): -3.35 · -3.35±0.40(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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.