N,N-Diisopropylethylenediamine
カタログ番号 B087191
:
121-05-1
分子量: 144.26 g/mol
InChIキー: CURJNMSGPBXOGK-UHFFFAOYSA-N
注意: 研究専用です。人間または獣医用ではありません。
Patent
US04145347
Procedure details
From 17.1 g. of ethyl 2-oxo-1-pyrrolidineacetate and 21 g. of 2-(diisopropylamino)ethylamine [J.A.C.S. 78, 486 (1956)], following the procedure of Example 1, there is obtained N-[2-[bis(1-methylethyl)amino]ethyl]-2-oxo-1-pyrrolidineacetamide; b.p. 164° C./0.15 mm.
Identifiers
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REACTION_CXSMILES
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[O:1]=[C:2]1[CH2:6][CH2:5][CH2:4][N:3]1[CH2:7][C:8]([O:10]CC)=O.[CH:13]([N:16]([CH:20]([CH3:22])[CH3:21])[CH2:17][CH2:18][NH2:19])([CH3:15])[CH3:14]>>[CH3:14][CH:13]([N:16]([CH:20]([CH3:22])[CH3:21])[CH2:17][CH2:18][NH:19][C:8](=[O:10])[CH2:7][N:3]1[CH2:4][CH2:5][CH2:6][C:2]1=[O:1])[CH3:15]
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Inputs
Step One
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Name
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Quantity
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0 (± 1) mol
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Type
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reactant
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Smiles
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O=C1N(CCC1)CC(=O)OCC
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Step Two
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Name
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Quantity
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0 (± 1) mol
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Type
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reactant
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Smiles
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C(C)(C)N(CCN)C(C)C
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Conditions
Other
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Conditions are dynamic
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1
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Details
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See reaction.notes.procedure_details.
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Outcomes
Product
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Name
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Type
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product
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Smiles
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CC(C)N(CCNC(CN1C(CCC1)=O)=O)C(C)C
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Source
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Source
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Open Reaction Database (ORD) |
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Description
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The Open Reaction Database (ORD) is an open-access schema and infrastructure for structuring and sharing organic reaction data, including a centralized data repository. The ORD schema supports conventional and emerging technologies, from benchtop reactions to automated high-throughput experiments and flow chemistry. Our vision is that a consistent data representation and infrastructure to support data sharing will enable downstream applications that will greatly improve the state of the art with respect to computer-aided synthesis planning, reaction prediction, and other predictive chemistry tasks. |
