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| CAS No.: | 617-36-7 |
|---|---|
| Name: | ETHYL OXAMATE |
| Molecular Structure: | |
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| Formula: | C4H7NO3 |
| Molecular Weight: | 117.104 |
| Synonyms: | Aceticacid, aminooxo-, ethyl ester (9CI);Oxamic acid, ethyl ester (6CI,7CI,8CI);2-Amino-2-(oxo)acetic acid ethyl ester;Ethoxalamide;Ethyl2-amino-2-oxoacetate;Ethyl oxamate;NSC 48381;Oxalic acid monoethyl esteramide;Oxamethane; |
| EINECS: | 210-512-8 |
| Density: | 1.184g/cm3 |
| Melting Point: | 114-116°C |
| Boiling Point: | 188.7 °C at 760 mmHg |
| Flash Point: | 87 °C |
| Appearance: | white crystalline powder |
| Safety: | 24/25-22 |
| PSA: | 69.39000 |
| LogP: | -0.26490 |
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| Conditions | Yield |
|---|---|
| With manganese(IV) oxide; water In isopropyl alcohol at 30℃; under 5171.62 Torr; for 0.25h; | 96% |
| Stage #1: ethyl cyanoformate With phosphoric acid In dibutyl ether at 115℃; for 1.5h; Stage #2: With potassium carbonate In ethanol | 50% |
| Conditions | Yield |
|---|---|
| With di(n-butyl)tin oxide at 140℃; for 12h; Inert atmosphere; | A 80% B 80% |
| With di(n-butyl)tin oxide at 140℃; under 2585.81 Torr; for 12h; Inert atmosphere; Autoclave; | A 30 %Chromat. B 60 %Chromat. |
| Conditions | Yield |
|---|---|
| With tert.-butylhydroperoxide; ammonium iodide In acetonitrile at 40℃; for 12h; | 65% |
| With tert.-butylhydroperoxide; ammonium iodide In water; acetonitrile at 40℃; for 12h; | 65% |
- 1263290-89-6
ethyl 2-azido-2-hydroxyacetate
A
- 18804-91-6
ethyl N-carbonylcarbamate
B
- 617-36-7
Ethyl oxamate
| Conditions | Yield |
|---|---|
| In chloroform-d1 at -50℃; for 8h; Photolysis; | A 42% B 29% |
- 60859-75-8
ethyl (E)-3-(naphthalen-1-yl)-2-nitroacrylate
A
- 574-96-9
1-hydroxy-2-naphthaldehyde
B
- 617-36-7
Ethyl oxamate
C
- 74222-20-1
ethyl naphthol<1,2-b>furan-2-carboxylate
D
- 74222-18-7
ethyl 3-(1-naphthyl)-3-oximino-2-oxopropionate
E
- 88472-35-9
2-(ethoxyoxalylaminomethylene)naphthalen-1-one
| Conditions | Yield |
|---|---|
| In acetone at 20℃; for 2h; Mechanism; Product distribution; Irradiation; | A 26.8% B 15.8% C 2.2% D 1.6% E 10% |
- 60859-75-8
ethyl (E)-3-(naphthalen-1-yl)-2-nitroacrylate
A
- 574-96-9
1-hydroxy-2-naphthaldehyde
B
- 617-36-7
Ethyl oxamate
C
- 74222-20-1
ethyl naphthol<1,2-b>furan-2-carboxylate
D
- 88472-35-9
2-(ethoxyoxalylaminomethylene)naphthalen-1-one
| Conditions | Yield |
|---|---|
| In acetone at 20℃; for 2h; Irradiation; Further byproducts given; | A 26.8% B 15.8% C 2.2% D 10% |
| In acetone at 20℃; for 2h; Irradiation; Further byproducts given; | A 26.8% B 15.8% C 2.2% D 10% |
- 60859-75-8
ethyl (E)-3-(naphthalen-1-yl)-2-nitroacrylate
A
- 574-96-9
1-hydroxy-2-naphthaldehyde
B
- 617-36-7
Ethyl oxamate
C
- 74222-18-7
ethyl 3-(1-naphthyl)-3-oximino-2-oxopropionate
D
- 88472-35-9
2-(ethoxyoxalylaminomethylene)naphthalen-1-one
| Conditions | Yield |
|---|---|
| In acetone at 20℃; for 2h; Irradiation; Further byproducts given; | A 26.8% B 15.8% C 1.6% D 10% |
- 74222-04-1
ethyl 2-nitro-3-(2-naphthyl)acrylate
A
- 617-36-7
Ethyl oxamate
B
- 74222-20-1
ethyl naphthol<1,2-b>furan-2-carboxylate
C
- 74222-17-6
3-[(E)-Hydroxyimino]-3-naphthalen-2-yl-2-oxo-propionic acid ethyl ester
| Conditions | Yield |
|---|---|
| In acetone Irradiation; | A 10.8% B 2.6% C 22% |
| Conditions | Yield |
|---|---|
| With ammonia |
- 119174-42-4
2-ethoxy-2-oxoacetic anhydride
- 617-36-7
Ethyl oxamate
| Conditions | Yield |
|---|---|
| With diethyl ether; ammonia |
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Specification
The Ethyl oxamate with cas registry number of 617-36-7, belongs to the following product categories: (1)Amides; (2)Carbonyl Compounds; (3)Organic Building Blocks. Its IUPAC name is ethyl 2-amino-2-oxoacetate and its systematic name is ethyl amino(oxo)acetate. Besides this, it is also named Acetic acid, aminooxo-, ethyl ester.
Physical properties about this chemical are: (1)ACD/LogP: -0.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.47; (4)ACD/LogD (pH 7.4): -0.47; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 13.29; (8)ACD/KOC (pH 7.4): 13.29; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 46.61 Å2; (13)Index of Refraction: 1.437; (14)Molar Refractivity: 25.92 cm3; (15)Molar Volume: 98.8 cm3; (16)Polarizability: 10.27×10-24cm3; (17)Surface Tension: 41 dyne/cm; (18)Enthalpy of Vaporization: 42.5 kJ/mol; (19)Vapour Pressure: 0.59 mmHg at 25°C.
Uses of Ethyl oxamate: it can be used to produce 2-thio-oxalamic acid ethyl ester. This reaction will need reagent P2S5 and solvent toluence with reaction time of 2 hours.The yield is about 71%.
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When you are using this chemical, please be cautious about it as the following:
Do not breathe dust and avoid contact with skin and eyes.
You can still convert the following datas into molecular structure:
(1)SMILES:O=C(N)C(=O)OCC;
(2)InChI:InChI=1/C4H7NO3/c1-2-8-4(7)3(5)6/h2H2,1H3,(H2,5,6);
(3)InChIKey:RZMZBHSKPLVQCP-UHFFFAOYAA;
(4)Std. InChI:InChI=1S/C4H7NO3/c1-2-8-4(7)3(5)6/h2H2,1H3,(H2,5,6);
(5)Std. InChIKey:RZMZBHSKPLVQCP-UHFFFAOYSA-N.