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34762-17-9

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Basic Information
CAS No.: 34762-17-9
Name: Diethyl2-(bromomethyl)malonate
Article Data: 3
Molecular Structure:
Molecular Structure of 34762-17-9 (Diethyl2-(bromomethyl)malonate)
Formula: C8H13BrO4
Molecular Weight: 253.093
Synonyms: Diethyl (bromomethyl)malonate;propanedioic acid, 2-(bromomethyl)-, diethyl ester;LogP
Density: 1.397 g/cm3
Boiling Point: 235.444 °C at 760 mmHg
Flash Point: 96.193 °C
PSA: 52.60000
LogP: 1.12370
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Conditions
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With hydrogen bromide In ethanol for 48h;65%
With water; hydrogen bromide
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Conditions
ConditionsYield
With diethyl ether; hydrogen bromide
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sodium diethylmalonate

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Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: diethyl ether
2: water; hydrobromic acid
View Scheme
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34762-17-9

ethyl 3-bromo-2-(ethoxycarbonyl)propionate

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Conditions
ConditionsYield
With potassium tert-butylate In tert-butyl alcohol at -20 - -15℃; for 8.5h; Solvent; Temperature; Reagent/catalyst;91.7%
34762-17-9

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Conditions
ConditionsYield
Stage #1: ethyl 3-hydroxyphenylacetate With sodium hydride In N,N-dimethyl-formamide at 0℃; for 0.333333h; Inert atmosphere;
Stage #2: ethyl 3-bromo-2-(ethoxycarbonyl)propionate In N,N-dimethyl-formamide at 110℃; Inert atmosphere;		65%
34762-17-9

ethyl 3-bromo-2-(ethoxycarbonyl)propionate

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methylamine hydrochloride

2,2'-(2-methyl-2-aza-propanediyl)-di-malonic acid tetraethyl ester

Conditions
ConditionsYield
With ethanol; silver(l) oxide
34762-17-9

ethyl 3-bromo-2-(ethoxycarbonyl)propionate

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potassium phtalimide

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phthalimidomethyl-malonic acid diethyl ester

Conditions
ConditionsYield
With xylene
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ethyl 3-bromo-2-(ethoxycarbonyl)propionate

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diethyl 2-azido-2-methylmalonate

Conditions
ConditionsYield
With sodium azide; ethanol
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ethyl 3-bromo-2-(ethoxycarbonyl)propionate

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triphenylphosphine

34762-20-4

(2,2-Bis-ethoxycarbonyl-ethyl)-triphenyl-phosphonium; bromide

34762-17-9

ethyl 3-bromo-2-(ethoxycarbonyl)propionate

<1>isoquinolyl-methyl lithium

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(2-[1]isoquinolyl-ethyl)-malonic acid diethyl ester

Conditions
ConditionsYield
With diethyl ether
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Specification

The Diethyl2-(bromomethyl)malonate, with the CAS registry number 34762-17-9, is also known as Diethyl (bromomethyl)malonate. This chemical's molecular formula is C8H13BrO4 and molecular weight is 253.09. What's more, its IUPAC name is called Diethyl 2-(bromomethyl)propanedioate.

Physical properties about Diethyl2-(bromomethyl)malonate are: (1)ACD/LogP: 2.082; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.08; (4)ACD/LogD (pH 7.4): 2.08; (5)ACD/BCF (pH 5.5): 22.52; (6)ACD/BCF (pH 7.4): 22.51; (7)ACD/KOC (pH 5.5): 323.38; (8)ACD/KOC (pH 7.4): 323.32; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.468; (14)Molar Refractivity: 50.352 cm3; (15)Molar Volume: 181.112 cm3; (16)Polarizability: 19.961×10-24cm3; (17)Surface Tension: 37.915 dyne/cm; (18)Density: 1.397 g/cm3; (19)Flash Point: 96.193 °C; (20)Enthalpy of Vaporization: 47.221 kJ/mol; (21)Boiling Point: 235.444 °C at 760 mmHg; (22)Vapour Pressure: 0.050 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: BrCC(C(=O)OCC)C(=O)OCC
(2) InChI: InChI=1S/C8H13BrO4/c1-3-12-7(10)6(5-9)8(11)13-4-2/h6H,3-5H2,1-2H3
(3) InChIKey: GSFDYMMFCGYFJF-UHFFFAOYSA-N