Ethyl 1-methyl-4-nitroimidazole-2-carboxylate
- Product Name
- Ethyl 1-methyl-4-nitroimidazole-2-carboxylate
- CAS No.
- 109012-23-9
- Chemical Name
- Ethyl 1-methyl-4-nitroimidazole-2-carboxylate
- Synonyms
- Ethyl 4-nitro-1-methylimidazole-2-carboxylate;ethyl 1-Methyl-4-nitro-1H-iMidazole-2-carboxylate;1-Methyl-4-nitroiMidazole-2-carboxylic acid ethyl ester;1H-Imidazole-2-carboxylic acid, 1-methyl-4-nitro-, ethyl ester
- CBNumber
- CB61463062
- Molecular Formula
- C7H9N3O4
- Formula Weight
- 199.16
- MOL File
- 109012-23-9.mol
Ethyl 1-methyl-4-nitroimidazole-2-carboxylate Property
- Melting point:
- 128-130°
- Boiling point:
- 350.7±34.0 °C(Predicted)
- Density
- 1.42±0.1 g/cm3(Predicted)
- storage temp.
- 2-8°C
- solubility
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- pka
- -2.47±0.60(Predicted)
- form
- Solid
- color
- White to Off-White
- InChI
- InChI=1S/C7H9N3O4/c1-3-14-7(11)6-8-5(10(12)13)4-9(6)2/h4H,3H2,1-2H3
- InChIKey
- QGTGFMLXIBQONB-UHFFFAOYSA-N
- SMILES
- C1(C(OCC)=O)N(C)C=C([N+]([O-])=O)N=1
Safety
- HS Code
- 2933299090
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P280Wear protective gloves/protective clothing/eye protection/face protection.
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).
P332+P313IF SKIN irritation occurs: Get medical advice/attention.
P362Take off contaminated clothing and wash before reuse.
N-Bromosuccinimide Price
- Product number
- E925628
- Product name
- Ethyl1-methyl-4-nitroimidazole-2-carboxylate
- Packaging
- 2.5g
- Price
- $140
- Updated
- 2021/12/16
- Product number
- CS-W001046
- Product name
- Ethyl1-methyl-4-nitroimidazole-2-carboxylate
- Purity
- 99.97%
- Packaging
- 1g
- Price
- $34
- Updated
- 2021/12/16
- Product number
- CS-W001046
- Product name
- Ethyl1-methyl-4-nitroimidazole-2-carboxylate
- Purity
- 99.97%
- Packaging
- 5g
- Price
- $130
- Updated
- 2021/12/16
- Product number
- 072034
- Product name
- Ethyl 1-methyl-4-nitroimidazole-2-carboxylate
- Purity
- 95+%
- Packaging
- 1g
- Price
- $185
- Updated
- 2021/12/16
- Product number
- CS-W001046
- Product name
- Ethyl1-methyl-4-nitroimidazole-2-carboxylate
- Purity
- 99.97%
- Packaging
- 10g
- Price
- $210
- Updated
- 2021/12/16
Ethyl 1-methyl-4-nitroimidazole-2-carboxylate Chemical Properties,Usage,Production
Uses
Ethyl 1-methyl-4-nitroimidazole-2-carboxylate
Uses
Terameprocol is a semi-synthetic lignan which inhibits the transcription of several inflammatory and oncogenic genes.
Synthesis
30148-21-1
109012-23-9
General procedure for the synthesis of ethyl N-methyl-4-nitro-1H-imidazole-2-carboxylate from ethyl 1-methylimidazole-2-carboxylate: ethyl 1-methylimidazole-2-carboxylate (1.8 g) was dissolved in concentrated sulfuric acid (5 mL) and the solution was cooled to 0 °C. 90% nitric acid (5 mL) was added slowly with stirring, followed by gradually warming the reaction mixture to room temperature and refluxing the reaction for 1.5 hours at -20 °C. Upon completion of the reaction, the mixture was poured into ice (50 mL) to quench the reaction. The reaction mixture was extracted with dichloromethane and the organic phase was dried over anhydrous sodium sulfate and subsequently concentrated under reduced pressure to give the crude product. The crude product was recrystallized using a mixture of carbon tetrachloride and ethanol solvents (1:1, 5 mL) to give ethyl N-methyl-4-nitro-1H-imidazole-2-carboxylate in the form of white crystals. The yield was 1.0543 g with 45% yield. The structure of the product was confirmed by 1H NMR (DMSO-d6) and 13C NMR (DMSO-d6): 1H NMR (DMSO-d6): δ 8.61 (s, 1H), 4.33 (q, 2H, J = 6.4 Hz), 3.97 (s, 3H), 1.29 (t, 3H, J = 6.0 Hz); 13C NMR (DMSO- d6): δ 158.2, 145.4, 135.3, 127.4, 62.2, 37.3, 14.5.
References
[1] Patent: WO2005/33077, 2005, A1. Location in patent: Page/Page column 53-54
[2] Journal of the American Chemical Society, 1996, vol. 118, # 26, p. 6141 - 6146
[3] Patent: US6090947, 2000, A
Ethyl 1-methyl-4-nitroimidazole-2-carboxylate Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from Ethyl 1-methyl-4-nitroimidazole-2-carboxylate manufacturers
- Product
- Ethyl 1-methyl-4-nitroimidazole-2-carboxylate 109012-23-9
- Price
- US $7.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- 1000kg
- Release date
- 2020-01-13