[ CAS No. 1469894-57-2 ]

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Cat. No.: {[proInfo.prAm]}
2D
Chemical Structure| 1469894-57-2
Chemical Structure| 1469894-57-2
Structure of 1469894-57-2

Quality Control of [ 1469894-57-2 ]

Purity: {[proInfo.showProBatch.pb_purity]}

Related Doc. of [ 1469894-57-2 ]

SDS

Product Details of [ 1469894-57-2 ]

CAS No. :1469894-57-2MDL No. :MFCD30720967
Formula :C11H20O4Boiling Point :-
Linear Structure Formula :-InChI Key :N/A
M.W :216.27Pubchem ID :21999792
Synonyms :

Computed Properties of [ 1469894-57-2 ]

TPSA : 63.6 H-Bond Acceptor Count : 4
XLogP3 : 1.8 H-Bond Donor Count : 1
SP3 : 0.82 Rotatable Bond Count : 8

Safety of [ 1469894-57-2 ]

Signal Word:WarningClassN/A
Precautionary Statements:P261-P305+P351+P338UN#:N/A
Hazard Statements:H302-H315-H319-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 1469894-57-2 ]

  • Upstream synthesis route of [ 1469894-57-2 ]
  • Downstream synthetic route of [ 1469894-57-2 ]

[ 1469894-57-2 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 111-16-0 ]
  • [ 75-65-0 ]
  • [ 1469894-57-2 ]
YieldReaction ConditionsOperation in experiment
19% With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃; for 18.00 h; Pimelic acid (1.56 mL, 12.5 mmol), 2-methyl-2-propanol (14.9 mL, 156.3 mmol), EDCI (2.4 g, 12.5 mmol) and DMAP (1.53 g, 12.5 mmol) were dissolved in DCM (15 mL). The reaction was stirred at r.t. for 18 hours. The reaction mixture was diluted with ether (60 mL) and washed with 0.01 N aqueous HCI and water. The organic phase was then dried over MgS04 and the solvent was removed in vacuo. The crude product was purified by column chromatography using 1 :1 EtOAc:PE to give 7-(te if-butoxy)-7-oxoheptanoic acid (0.52 g, 2.42 mmol, 19percent) as a colourless oil. 1H NMR (400 MHz, DMSO-d6) δ ppm 12.42 (br s, 1 H), 2.18 (q, J = 7.4 Hz, 4H), 1.54-1.43 (m, 4H), 1.40 (s, 9H), 1.32-1.22 (m, 2H)
Reference: [1] Patent: WO2017/212329, 2017, A1. Location in patent: Page/Page column 29; 81
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