HCID394147

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

1-O-tert-butyl 2-O-methyl pyrrolidine-1,2-dicarboxylate

C11H19NO4229.27 g/molCAS 145681-01-2

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IDENTITY

结构与身份

标准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
单同位素质量: 229.13140809

COMPUTED

结构计算性质

已同步

XLogP: 1.6
极性表面积: 55.8 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 4
重原子: 16
形式电荷: 0
复杂度: 282

GHS

GHS分类

来源：PubChem

GHS Classification

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.

HAZARDS

危害信息

来源：PubChem

Hazard Classes and Categories

Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

ALIASES

名称与别名

共 37 条

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-dicarboxylate1-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

REACTIONS

参与反应

13 条

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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uspto-grants-2011_12 · 10.6084/m9.figshare.5104873.v1 · US08084623B2

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uspto-grants-2012_08 · 10.6084/m9.figshare.5104873.v1 · US08252792B2

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Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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uspto-grants-2016_08 · 10.6084/m9.figshare.5104873.v1 · US09403834B2

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