(1-Ethoxyethylidene)propanedioic acid diethyl ester
- Product Name
- (1-Ethoxyethylidene)propanedioic acid diethyl ester
- CAS No.
- 3044-06-2
- Chemical Name
- (1-Ethoxyethylidene)propanedioic acid diethyl ester
- Synonyms
- 100574;Nsc 233875;Einecs 221-249-3;diethyl 2-(1-ethoxyethylidene)Malonate;Diethyl (1-ethoxyethylidene)malonate 97%;diethyl 2-(1-ethoxyethylidene)propanedioate;Malonic acid, (1-ethoxyethylidene)-, diethyl ester;(1-Ethoxyethylidene)propanedioic acid diethyl ester;Propanedioic acid, (1-ethoxyethylidene)-, diethyl ester;Propanedioic acid, 2-(1-ethoxyethylidene)-, 1,3-diethyl ester
- CBNumber
- CB52437867
- Molecular Formula
- C11H18O5
- Formula Weight
- 230.26
- MOL File
- 3044-06-2.mol
(1-Ethoxyethylidene)propanedioic acid diethyl ester Property
- Melting point:
- 26-27℃
- Boiling point:
- 123-128℃ (3 Torr)
- Density
- 1.068 g/cm3(Temp: 25 °C)
- refractive index
- 1.4634 (589.3 nm 25℃)
- storage temp.
- 2-8°C
- Appearance
- Colorless to light yellow <25°C Solid,>27°C Liquid
- InChI
- InChI=1S/C11H18O5/c1-5-14-8(4)9(10(12)15-6-2)11(13)16-7-3/h5-7H2,1-4H3
- InChIKey
- TWYCKMOLLPVQMA-UHFFFAOYSA-N
- SMILES
- C(OCC)(=O)/C(=C(/OCC)\C)/C(OCC)=O
- EPA Substance Registry System
- Propanedioic acid, (1-ethoxyethylidene)-, diethyl ester (3044-06-2)
Safety
- HS Code
- 2917198090
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P270Do not eat, drink or smoke when using this product.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P302+P352IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P321Specific treatment (see … on this label).
P330Rinse mouth.
P332+P313IF SKIN irritation occurs: Get medical advice/attention.
P362Take off contaminated clothing and wash before reuse.
P501Dispose of contents/container to..…
N-Bromosuccinimide Price
- Product number
- 2323-1-40
- Product name
- Diethyl (1-ethoxyethylidene)malonate
- Packaging
- 250mg
- Price
- $320
- Updated
- 2021/12/16
- Product number
- CHM0392034
- Product name
- DIETHYL 2-(1-ETHOXYETHYLIDENE)MALONATE
- Purity
- 95.00%
- Packaging
- 5MG
- Price
- $504.54
- Updated
- 2021/12/16
- Product number
- 120626
- Product name
- Diethyl 2-(1-ethoxyethylidene)malonate
- Purity
- 97%
- Packaging
- 5g
- Price
- $630
- Updated
- 2021/12/16
- Product number
- 2323-1-40
- Product name
- Diethyl (1-ethoxyethylidene)malonate
- Packaging
- 1g
- Price
- $760
- Updated
- 2021/12/16
- Product number
- 120626
- Product name
- Diethyl 2-(1-ethoxyethylidene)malonate
- Purity
- 97%
- Packaging
- 25g
- Price
- $885
- Updated
- 2021/12/16
(1-Ethoxyethylidene)propanedioic acid diethyl ester Chemical Properties,Usage,Production
Synthesis
570-08-1
78-39-7
3044-06-2
a) Synthesis of diethyl 2-(1-ethoxyethylidene) malonate. A mixture of diethyl acetylmalonate (10 g, 0.049 mol), triethyl orthoacetate (24 g, 0.15 mol) and zinc chloride (70 mg, 0.0049 mol) was stirred and reacted at 95 °C for 4 h under inert atmosphere. After completion of the reaction, the reaction mixture was concentrated and the residue was purified by silica gel column chromatography (eluent: ethyl acetate/petroleum ether=10:90) to afford the target product diethyl 2-(1-ethoxyethylidene)malonate as an oil (6.4 g, 56% yield). The product was analyzed by LC/MS: MS (ES+) m/e 231 (MH+); 1H NMR (300 MHz, CDCl3) δppm 1.22-1.33 (m, 9H), 2.43 (s, 3H), 4.06 (q, J=6.9 Hz, 2H), 4.16 (q, J=7.2 Hz, 2H), 4.26 (q, J=7.2 Hz, 2H).
References
[1] Patent: WO2013/96153, 2013, A1. Location in patent: Page/Page column 162
(1-Ethoxyethylidene)propanedioic acid diethyl ester Preparation Products And Raw materials
Raw materials
Preparation Products
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