Ethyl carbamoylacetate
Ethyl 3-amino-3-oxopropanoate
CAS: 7597-56-0
Molecular Formula: C5H9NO3
Ethyl carbamoylacetate - Names and Identifiers
| Name | Ethyl 3-amino-3-oxopropanoate |
| Synonyms | Ethyl malonamate. ETHYL AMIDOMALONATE ETHYL CARBAMOYLACETATE Ethyl carbamoylacetate Ethyl malonate monoamide ETHYL MALONATE MONOAMIDE Ethyl 3-amino-3-oxopropanoate 3-amino-3-oxopropanoic acid ethyl ester PROPANOIC ACID, 3-AMINO-3-OXO-, ETHYL ESTER |
| CAS | 7597-56-0 |
| InChI | InChI=1/C5H9NO3/c1-2-9-5(8)3-4(6)7/h2-3H2,1H3,(H2,6,7) |
| InChIKey | UVSPVEYCSVXYBB-UHFFFAOYSA-N |
Ethyl carbamoylacetate - Physico-chemical Properties
| Molecular Formula | C5H9NO3 |
| Molar Mass | 131.13 |
| Density | 1.136±0.06 g/cm3(Predicted) |
| Melting Point | 47-50°C |
| Boling Point | 265.6±23.0 °C(Predicted) |
| Flash Point | 149.5°C |
| Solubility | Chloroform (Slightly), Methanol (Slightly) |
| Vapor Presure | 0.00908mmHg at 25°C |
| Appearance | Solid |
| Color | White to Off-White |
| BRN | 1758870 |
| pKa | 13.53±0.46(Predicted) |
| Storage Condition | Keep in dark place,Sealed in dry,Room Temperature |
| Refractive Index | 1.442 |
Ethyl carbamoylacetate - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| WGK Germany | 3 |
Ethyl carbamoylacetate - Introduction
Ethyl 3-amino-3-oxopropanoate, also known as acetylalanine ethyl ester (Ethyl 3-amino-3-oxopropanoate), is an organic compound. Its chemical formula is C6H11NO3 and its relative molecular mass is 145.15.
The following is a description of the properties, uses, preparation methods and safety information of the compound:
Nature:
-Appearance: At room temperature, it is a colorless or slightly yellow oily liquid.
-Solubility: It is soluble in water, alcohols and ether solvents.
-Stability: It is stable, but may decompose under high temperature and high pressure.
-Ignition point: Its ignition point is 99°C.
Use:
-Chemical synthesis: It is often used in organic synthesis reactions as an intermediate for the synthesis of other compounds. It can participate in peptide synthesis, heterocyclic synthesis and amino acid derivatives synthesis and other reactions.
-Drug research: It is used as a building block of drug molecules in the field of drug research.
Preparation Method:
Acetylalanine ethyl ester can be prepared by the condensation reaction of ethyl acetate and ethyl methacrylate. The specific synthesis steps can include the following steps:
1. Ethyl acetate is reacted with ethyl methacrylate in the presence of a base.
2. decarboxylation under mild conditions to obtain ethyl 3-carboxy-3-oxopropionate.
3. The amination reaction is carried out in the presence of an aminating agent to obtain Ethyl 3-amino-3-oxopropanoate.
Safety Information:
-Acetylalanine ethyl ester will not cause serious harm to the human body under normal use conditions.
-However, like most organic compounds, safety measures should be taken when handling it, such as wearing chemical protective gloves, glasses and laboratory coats.
-Avoid inhaling its vapors or touching the skin, avoid ingestion.
-In case of accidental exposure, flush the affected area with plenty of water and seek medical help.
-During use or storage, please follow the relevant safety procedures.
The following is a description of the properties, uses, preparation methods and safety information of the compound:
Nature:
-Appearance: At room temperature, it is a colorless or slightly yellow oily liquid.
-Solubility: It is soluble in water, alcohols and ether solvents.
-Stability: It is stable, but may decompose under high temperature and high pressure.
-Ignition point: Its ignition point is 99°C.
Use:
-Chemical synthesis: It is often used in organic synthesis reactions as an intermediate for the synthesis of other compounds. It can participate in peptide synthesis, heterocyclic synthesis and amino acid derivatives synthesis and other reactions.
-Drug research: It is used as a building block of drug molecules in the field of drug research.
Preparation Method:
Acetylalanine ethyl ester can be prepared by the condensation reaction of ethyl acetate and ethyl methacrylate. The specific synthesis steps can include the following steps:
1. Ethyl acetate is reacted with ethyl methacrylate in the presence of a base.
2. decarboxylation under mild conditions to obtain ethyl 3-carboxy-3-oxopropionate.
3. The amination reaction is carried out in the presence of an aminating agent to obtain Ethyl 3-amino-3-oxopropanoate.
Safety Information:
-Acetylalanine ethyl ester will not cause serious harm to the human body under normal use conditions.
-However, like most organic compounds, safety measures should be taken when handling it, such as wearing chemical protective gloves, glasses and laboratory coats.
-Avoid inhaling its vapors or touching the skin, avoid ingestion.
-In case of accidental exposure, flush the affected area with plenty of water and seek medical help.
-During use or storage, please follow the relevant safety procedures.
Last Update：2024-04-09 20:45:29
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