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Chemical Structure| 13961-36-9 Chemical Structure| 13961-36-9

Structure of 13961-36-9

Chemical Structure| 13961-36-9

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Product Details of [ 13961-36-9 ]

CAS No. :13961-36-9
Formula : C7H14N2
M.W : 126.20
SMILES Code : C=CCN1CCNCC1
MDL No. :MFCD00167970
InChI Key :ZWAQJGHGPPDZSF-UHFFFAOYSA-N
Pubchem ID :806422

Safety of [ 13961-36-9 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H225-H314
Precautionary Statements:P210-P233-P240-P241-P242-P243-P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P363-P370+P378-P403+P235-P405-P501
Class:8(3)
UN#:2734
Packing Group:

Application In Synthesis of [ 13961-36-9 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 13961-36-9 ]

[ 13961-36-9 ] Synthesis Path-Downstream   1~1

  • 1
  • Ni(II)-(S)-BPB-D-Ala [ No CAS ]
  • [ 13961-36-9 ]
  • C10H19N3O2 [ No CAS ]
  • C10H19N3O2 [ No CAS ]
  • [ 96293-17-3 ]
YieldReaction ConditionsOperation in experiment
> 95% General procedure: To 6.6 g (13 mmol) of 1 in 30 ml of MeCN were added 5.4 g (39 mmol) of K2CO3 and 26 mmol of the nucleophile 2a (8.4 g), 2b (9.0 g), 2c (7.2 g), 2d (5.18 g) 2e (6.01 g), 2f (5.5 g), 2g (5.67 g), 2h (5.67 g), 2i (4.58 g), 2j (6.63 g), 2k (5.05 g), 2l (3.28 g), 2m (8.54 g), 2n (5.31 g). The reaction mixture was stirred at room temperature or at 50 C (in case of 2a, 2g, 2h, 2m, and 2n) under an argon atmosphere. The course of the reaction was monitored by TCL (SiO2, CH3COCH3/CHCl3, 1:3) by following the disappearance of the initial complexes 1. Upon completion of the reaction, the mixture was filtered and extracted by CHCl3 (3 × 50 ml). A small part of the mixture (0.5 g) was separated by column chromatography (20 × 30 cm, SiO2, CH3Cl/CH3COCH3 (5:1)) and the structure and absolute configuration of the pure major diastereomer of complexes 3a-n were established by spectroscopic methods. 4.3. Isolation of the target amino acids 4a-n. Decomposition of the diastereomeric complexes 3a-k and isolation of the target beta-substituted alpha-amino acids 4a-k were carried out according to the literature.(d) and (e)
 

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