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Cas Database |
| Name |
Diethyl2-(bromomethyl)malonate |
EINECS | N/A |
| CAS No. | 34762-17-9 | Density | 1.397 g/cm3 |
| PSA | 52.60000 | LogP | 1.12370 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C8H13BrO4 | Boiling Point | 235.444 °C at 760 mmHg |
| Molecular Weight | 253.093 | Flash Point | 96.193 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Diethyl (bromomethyl)malonate;propanedioic acid, 2-(bromomethyl)-, diethyl ester;LogP |
Article Data | 3 |
Diethyl2-(bromomethyl)malonate Synthetic route
- 30379-04-5
diethyl ethoxymethylenemalonate
- 34762-17-9
ethyl 3-bromo-2-(ethoxycarbonyl)propionate
| Conditions | Yield |
|---|---|
| With hydrogen bromide In ethanol for 48h; | 65% |
| With water; hydrogen bromide |
- 3377-20-6
diethyl methylenemalonate
- 34762-17-9
ethyl 3-bromo-2-(ethoxycarbonyl)propionate
| Conditions | Yield |
|---|---|
| With diethyl ether; hydrogen bromide |
- 996-82-7, 34727-00-9, 73177-21-6
sodium diethylmalonate
- 34762-17-9
ethyl 3-bromo-2-(ethoxycarbonyl)propionate
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: diethyl ether 2: water; hydrobromic acid View Scheme |
| Conditions | Yield |
|---|---|
| With potassium tert-butylate In tert-butyl alcohol at -20 - -15℃; for 8.5h; Solvent; Temperature; Reagent/catalyst; | 91.7% |
- 34762-17-9
ethyl 3-bromo-2-(ethoxycarbonyl)propionate
- 22446-38-4
ethyl 3-hydroxyphenylacetate
- 1289544-57-5
C18H24O7
| Conditions | Yield |
|---|---|
| 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
- 593-51-1
methylamine hydrochloride
| Conditions | Yield |
|---|---|
| With ethanol; silver(l) oxide |
- 34762-17-9
ethyl 3-bromo-2-(ethoxycarbonyl)propionate
- 1074-82-4
potassium phtalimide
- 5101-83-7
phthalimidomethyl-malonic acid diethyl ester
| Conditions | Yield |
|---|---|
| With xylene |
- 34762-17-9
ethyl 3-bromo-2-(ethoxycarbonyl)propionate
- 849114-26-7
diethyl 2-azido-2-methylmalonate
| Conditions | Yield |
|---|---|
| With sodium azide; ethanol |
- 34762-17-9
ethyl 3-bromo-2-(ethoxycarbonyl)propionate
- 603-35-0
triphenylphosphine
- 34762-20-4
(2,2-Bis-ethoxycarbonyl-ethyl)-triphenyl-phosphonium; bromide
- 34762-17-9
ethyl 3-bromo-2-(ethoxycarbonyl)propionate
- 101719-34-0
(2-[1]isoquinolyl-ethyl)-malonic acid diethyl ester
| Conditions | Yield |
|---|---|
| With diethyl ether |
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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