Product Name

  • Name

    Diethyl2-(bromomethyl)malonate

  • EINECS
  • CAS No. 34762-17-9
  • Article Data3
  • CAS DataBase
  • Density 1.397 g/cm3
  • Solubility
  • Melting Point
  • Formula C8H13BrO4
  • Boiling Point 235.444 °C at 760 mmHg
  • Molecular Weight 253.093
  • Flash Point 96.193 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 34762-17-9 (Diethyl2-(bromomethyl)malonate)
  • Hazard Symbols
  • Synonyms Diethyl (bromomethyl)malonate;propanedioic acid, 2-(bromomethyl)-, diethyl ester;LogP
  • PSA 52.60000
  • LogP 1.12370

Synthetic route

diethyl ethoxymethylenemalonate
30379-04-5

diethyl ethoxymethylenemalonate

ethyl 3-bromo-2-(ethoxycarbonyl)propionate
34762-17-9

ethyl 3-bromo-2-(ethoxycarbonyl)propionate

Conditions
ConditionsYield
With hydrogen bromide In ethanol for 48h;65%
With water; hydrogen bromide
diethyl methylenemalonate
3377-20-6

diethyl methylenemalonate

ethyl 3-bromo-2-(ethoxycarbonyl)propionate
34762-17-9

ethyl 3-bromo-2-(ethoxycarbonyl)propionate

Conditions
ConditionsYield
With diethyl ether; hydrogen bromide
sodium diethylmalonate
996-82-7, 34727-00-9, 73177-21-6

sodium diethylmalonate

ethyl 3-bromo-2-(ethoxycarbonyl)propionate
34762-17-9

ethyl 3-bromo-2-(ethoxycarbonyl)propionate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: diethyl ether
2: water; hydrobromic acid
View Scheme
2-aminopyridine
504-29-0

2-aminopyridine

ethyl 3-bromo-2-(ethoxycarbonyl)propionate
34762-17-9

ethyl 3-bromo-2-(ethoxycarbonyl)propionate

C13H18N2O4

C13H18N2O4

Conditions
ConditionsYield
With potassium tert-butylate In tert-butyl alcohol at -20 - -15℃; for 8.5h; Solvent; Temperature; Reagent/catalyst;91.7%
ethyl 3-bromo-2-(ethoxycarbonyl)propionate
34762-17-9

ethyl 3-bromo-2-(ethoxycarbonyl)propionate

ethyl 3-hydroxyphenylacetate
22446-38-4

ethyl 3-hydroxyphenylacetate

C18H24O7
1289544-57-5

C18H24O7

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%
ethyl 3-bromo-2-(ethoxycarbonyl)propionate
34762-17-9

ethyl 3-bromo-2-(ethoxycarbonyl)propionate

methylamine hydrochloride
593-51-1

methylamine hydrochloride

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

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

Conditions
ConditionsYield
With ethanol; silver(l) oxide
ethyl 3-bromo-2-(ethoxycarbonyl)propionate
34762-17-9

ethyl 3-bromo-2-(ethoxycarbonyl)propionate

potassium phtalimide
1074-82-4

potassium phtalimide

phthalimidomethyl-malonic acid diethyl ester
5101-83-7

phthalimidomethyl-malonic acid diethyl ester

Conditions
ConditionsYield
With xylene
ethyl 3-bromo-2-(ethoxycarbonyl)propionate
34762-17-9

ethyl 3-bromo-2-(ethoxycarbonyl)propionate

diethyl 2-azido-2-methylmalonate
849114-26-7

diethyl 2-azido-2-methylmalonate

Conditions
ConditionsYield
With sodium azide; ethanol
ethyl 3-bromo-2-(ethoxycarbonyl)propionate
34762-17-9

ethyl 3-bromo-2-(ethoxycarbonyl)propionate

triphenylphosphine
603-35-0

triphenylphosphine

(2,2-Bis-ethoxycarbonyl-ethyl)-triphenyl-phosphonium; bromide
34762-20-4

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

ethyl 3-bromo-2-(ethoxycarbonyl)propionate
34762-17-9

ethyl 3-bromo-2-(ethoxycarbonyl)propionate

<1>isoquinolyl-methyl lithium

<1>isoquinolyl-methyl lithium

(2-[1]isoquinolyl-ethyl)-malonic acid diethyl ester
101719-34-0

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

Conditions
ConditionsYield
With diethyl ether
ethyl 3-bromo-2-(ethoxycarbonyl)propionate
34762-17-9

ethyl 3-bromo-2-(ethoxycarbonyl)propionate

acetic acid
64-19-7

acetic acid

zinc

zinc

methyl-propanedioic acid
516-05-2

methyl-propanedioic acid

...Expand
ethyl 3-bromo-2-(ethoxycarbonyl)propionate
34762-17-9

ethyl 3-bromo-2-(ethoxycarbonyl)propionate

bromo-phthalimidomethyl-malonic acid diethyl ester

bromo-phthalimidomethyl-malonic acid diethyl ester

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: xylene
2: chloroform; bromine
View Scheme
ethyl 3-bromo-2-(ethoxycarbonyl)propionate
34762-17-9

ethyl 3-bromo-2-(ethoxycarbonyl)propionate

N-[(1R)-1-methyl-2-propen-1-yl]-2-pyridinesulfonamide
861848-44-4

N-[(1R)-1-methyl-2-propen-1-yl]-2-pyridinesulfonamide

C17H24N2O6S

C17H24N2O6S

Conditions
ConditionsYield
With caesium carbonate In 1-methyl-pyrrolidin-2-one at 115℃; for 17h; Inert atmosphere; Large scale reaction;
ethyl 3-bromo-2-(ethoxycarbonyl)propionate
34762-17-9

ethyl 3-bromo-2-(ethoxycarbonyl)propionate

1-benzyl-3-hydroxy-1H-indazole
2215-63-6

1-benzyl-3-hydroxy-1H-indazole

diethyl 2-(((1-benzyl-1H-indazol-3-yl)oxy)methyl)malonate

diethyl 2-(((1-benzyl-1H-indazol-3-yl)oxy)methyl)malonate

Conditions
ConditionsYield
Stage #1: 1-benzyl-3-hydroxy-1H-indazole With potassium carbonate In 1,2-dimethoxyethane at 20℃; for 0.166667h;
Stage #2: ethyl 3-bromo-2-(ethoxycarbonyl)propionate In 1,2-dimethoxyethane for 4h; Reflux;

Diethyl2-(bromomethyl)malonate 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

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