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160407

Dibenzyl malonate

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About This Item

Linear Formula:
CH2(CO2CH2C6H5)2
CAS Number:
15014-25-2
Molecular Weight:
284.31
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24849869
EC Number:
239-099-2
Beilstein/REAXYS Number:
1998264
MDL number:
MFCD00004779
Form:
liquid
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form

liquid

Quality Segment

100

refractive index

n20/D 1.546 (lit.)

bp

188 °C/0.2 mmHg (lit.)

density

1.137 g/mL at 25 °C (lit.)

functional group

ester, phenyl

SMILES string

O=C(CC(=O)OCc1ccccc1)OCc2ccccc2

InChI

1S/C17H16O4/c18-16(20-12-14-7-3-1-4-8-14)11-17(19)21-13-15-9-5-2-6-10-15/h1-10H,11-13H2

InChI key

RYFCSKVXWRJEOB-UHFFFAOYSA-N

General description

Direct asymmetric reaction of dibenzyl malonate with N-tert-butoxycarbonyl aldimines in the presence of Yb(OTf)3 and iPr-pybox (pybox = pyridine bisoxazoline) complexes has been investigated.

Application

Dibenzyl malonate was used in the preparation of tetraethyl 3,3-bis(benzyloxycarbonyl)propylene bisphosphonate. It was also used in the preparation of benzyl umbelliferone-3-carboxylate via Knoevenagel condensation with 2,4-dihydroxybezaldehyde.

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

230.0 °F - closed cup

flash_point_c

110 °C - closed cup

ppe

Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)

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