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[ CAS No. 930782-89-1 ]

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2D
Chemical Structure| 930782-89-1
Chemical Structure| 930782-89-1
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SDS

Product Details of [ 930782-89-1 ]

CAS No. :930782-89-1MDL No. :MFCD17676317
Formula : C18H26N2O5 Boiling Point : -
Linear Structure Formula :-InChI Key :N/A
M.W :350.41Pubchem ID :-
Synonyms :

Computed Properties of [ 930782-89-1 ]

TPSA : - H-Bond Acceptor Count : -
XLogP3 : - H-Bond Donor Count : -
SP3 : - Rotatable Bond Count : -

Safety of [ 930782-89-1 ]

Signal Word:WarningClassN/A
Precautionary Statements:P261-P305+P351+P338UN#:N/A
Hazard Statements:H315-H319-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 930782-89-1 ]

  • Upstream synthesis route of [ 930782-89-1 ]
  • Downstream synthetic route of [ 930782-89-1 ]

[ 930782-89-1 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 138775-02-7 ]
  • [ 930782-89-1 ]
YieldReaction ConditionsOperation in experiment
84%
Stage #1: With 4-methyl-morpholine; isobutyl chloroformate In 1,2-dimethoxyethane at 0℃; for 0.33 h;
Stage #2: With sodium tetrahydroborate In 1,2-dimethoxyethane; water at 20℃;
(2i?)-4-[(Benzyloxy)carbonyl]-l-(tert-butoxycarbonyl)piperazine-2-carboxylic acid (1.4 g, 3.9 mmol) was dissolved in dimethoxyethane (10 mL) and to the cooled resultant solution was added N-methylmorpholine (0.4 g, 3.9 mmol) followed by isobutyl chloroformate (0.54 g, 3.9 mmol) by means of drops. The mixture was stirred at 0°C for 20 min and then the mixture was filtered. The filtrate was transferred to a 500 mL flask and then cooled again. Sodium borohydride (0.22 g, 5.9 mmol) dissolved in water (5 mL) was added and the external cooling bath was removed. The reaction mixture was stirred until the temperature of it had reached RT whereupon water (120 mL) was added. The mixture was extracted trice with ethyl acetate and the combined organic solutions were dried and then evaporated. The product was purified by column chromatography on silica gel (ethyl acetate - heptane 10percent to 70percent). There was obtained 1.2 g (84percent) of 4-benzyl 1-tert-butyl (2i?)-2-(hydroxymethyl)piperazine-l,4-dicarboxylate as a colorless oil. 1HNMR (500 MHz, CDCl3): 1.4 (s, 9H), 2.7-3.2 (b, 4H), 3.5 (b, 2H), 3.8-4.2 (m, 4H), 5.1 (m, 2H)5 7.2- 7.4 (m, 5H); LCMS: m/z 349 (M-I)
Reference: [1] Patent: WO2007/37743, 2007, A1. Location in patent: Page/Page column 47
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