N,N-Diisopropylethylenediamine
Numéro de catalogue B087191
:
121-05-1
Poids moléculaire: 144.26 g/mol
Clé InChI: CURJNMSGPBXOGK-UHFFFAOYSA-N
Attention: Uniquement pour un usage de recherche. Non destiné à un usage humain ou vétérinaire.
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
|
REACTION_CXSMILES
|
[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]
|
Inputs
Step One
|
Name
|
|
|
Quantity
|
0 (± 1) mol
|
|
Type
|
reactant
|
|
Smiles
|
O=C1N(CCC1)CC(=O)OCC
|
Step Two
|
Name
|
|
|
Quantity
|
0 (± 1) mol
|
|
Type
|
reactant
|
|
Smiles
|
C(C)(C)N(CCN)C(C)C
|
Conditions
Other
|
Conditions are dynamic
|
1
|
|
Details
|
See reaction.notes.procedure_details.
|
Outcomes
Product
|
Name
|
|
|
Type
|
product
|
|
Smiles
|
CC(C)N(CCNC(CN1C(CCC1)=O)=O)C(C)C
|
Source
|
Source
|
Open Reaction Database (ORD) |
|
Description
|
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. |
