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Cas Database |
| Name |
(4-Amino-2-nitrophenyl)carbamic acid ethyl ester |
EINECS | N/A |
| CAS No. | 73895-87-1 | Density | 1.411 g/cm3 |
| PSA | 113.66000 | LogP | 2.86340 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C9H11N3O4 | Boiling Point | 359.9 °C at 760 mmHg |
| Molecular Weight | 225.204 | Flash Point | 171.5 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Ethyl (4-amino-2-nitrophenyl) carbamate; |
Article Data | 5 |
(4-Amino-2-nitrophenyl)carbamic acid ethyl ester Synthetic route
- 150812-24-1
2-ethoxycarbonylamino-5-phthalimidonitrobenzene
- 73895-87-1
5-amino-2-ethoxycarbonylaminonitrobenzene
| Conditions | Yield |
|---|---|
| With methylamine In water; isopropyl alcohol at 60 - 65℃; for 2h; Concentration; Reagent/catalyst; Solvent; Temperature; Time; | 97.2% |
| With hydrazine In 1,2-dimethoxyethane for 1.66667h; Heating / reflux; | 90% |
| With hydrazine hydrate In 1,2-dimethoxyethane |
- 57399-97-0
N-(4-aminophenyl)carbamic acid ethyl ester
- 73895-87-1
5-amino-2-ethoxycarbonylaminonitrobenzene
| Conditions | Yield |
|---|---|
| With sulfuric acid; nitric acid In water at -5 - 0℃; for 0.5h; Inert atmosphere; | 60% |
| Stage #1: N-(4-aminophenyl)carbamic acid ethyl ester With sulfuric acid In water at -5℃; Stage #2: With nitric acid In water at 0℃; for 0.5h; Inert atmosphere; | 60% |
| Multi-step reaction with 3 steps 1: N,N-dimethyl-formamide / 2.5 h / 20 - 95 °C / Inert atmosphere 2: nitric acid / acetic acid / 20 - 105 °C / Inert atmosphere 3: methylamine / isopropyl alcohol; water / 2 h / 60 - 65 °C View Scheme |
- 721943-05-1
1-ethoxycarbonylamino-4-phthalimidobenzene
- 73895-87-1
5-amino-2-ethoxycarbonylaminonitrobenzene
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: nitric acid / acetic acid / 20 - 105 °C / Inert atmosphere 2: methylamine / isopropyl alcohol; water / 2 h / 60 - 65 °C View Scheme |
- 2621-73-0
ethyl 4-nitrophenylcarbamate
- 73895-87-1
5-amino-2-ethoxycarbonylaminonitrobenzene
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: ammonium formate; 5%-palladium/activated carbon / tetrahydrofuran; water / 24 h / 50 °C / Inert atmosphere 2: sulfuric acid; nitric acid / water / 0.5 h / -5 - 0 °C / Inert atmosphere View Scheme |
- 73895-87-1
5-amino-2-ethoxycarbonylaminonitrobenzene
- 459-57-4
4-fluorobenzaldehyde
- 1314406-56-8
2-ethoxycarbonylamino-5-(4-fluorobenzylideneamino)nitrobenzene
| Conditions | Yield |
|---|---|
| With toluene-4-sulfonic acid In toluene for 4h; Reflux; | 100% |
| In ethanol at 20 - 65℃; Solvent; Temperature; | 97.9% |
| Conditions | Yield |
|---|---|
| Stage #1: 5-amino-2-ethoxycarbonylaminonitrobenzene; 3-Fluorobenzaldehyde With toluene-4-sulfonic acid In toluene for 4h; Reflux; Stage #2: With methanol; sodium tetrahydroborate In ethyl acetate at 10℃; for 4h; | 88.6% |
| Conditions | Yield |
|---|---|
| Stage #1: 5-amino-2-ethoxycarbonylaminonitrobenzene; 2-Fluorobenzaldehyde With toluene-4-sulfonic acid In toluene for 4h; Reflux; Stage #2: With methanol; sodium tetrahydroborate In ethyl acetate at 10℃; for 4h; | 87% |
- 73895-87-1
5-amino-2-ethoxycarbonylaminonitrobenzene
- 459-57-4
4-fluorobenzaldehyde
- 150812-23-0
2-ethoxycarbonylamino-5-(4-fluorobenzylamino)nitrobenzene
| Conditions | Yield |
|---|---|
| With sodium tetrahydroborate In water; isopropyl alcohol at 20℃; Solvent; Temperature; Time; | 81.7% |
| Stage #1: 5-amino-2-ethoxycarbonylaminonitrobenzene With sodium tetrahydroborate; acetic acid In tetrahydrofuran at 35℃; Stage #2: 4-fluorobenzaldehyde In tetrahydrofuran at 35℃; for 1h; |
- 73895-87-1
5-amino-2-ethoxycarbonylaminonitrobenzene
- 721943-14-2
4-(4-chloro-benzenesulfonyl)-3-methyl-thiophene-2-carbaldehyde
- 721943-40-4
C21H18ClN3O6S2
| Conditions | Yield |
|---|---|
| In ethanol for 20h; Heating / reflux; | 61% |
- 7283-96-7
5-Chloro-2-thiophenecarboxaldehyde
- 73895-87-1
5-amino-2-ethoxycarbonylaminonitrobenzene
| Conditions | Yield |
|---|---|
| Stage #1: 5-Chloro-2-thiophenecarboxaldehyde; 5-amino-2-ethoxycarbonylaminonitrobenzene With sodium tris(acetoxy)borohydride In 1,2-dichloro-ethane at 40℃; for 3.5h; Ultrasonic bath; Stage #2: With hydrogenchloride; iron In ethanol; water for 0.166667h; | 56% |
(4-Amino-2-nitrophenyl)carbamic acid ethyl ester Specification
The (4-Amino-2-nitrophenyl)carbamic acid ethyl ester has CAS registry number 73895-87-1. This chemical's molecular formula is C9H11N3O4 and molecular weight is 225.20134. What's more, its systematic name is Ethyl (4-amino-2-nitrophenyl)carbamate.
Physical properties about (4-Amino-2-nitrophenyl)carbamic acid ethyl ester are: (1)ACD/LogP: 1.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.62; (4)ACD/LogD (pH 7.4): 1.62; (5)ACD/BCF (pH 5.5): 10.02; (6)ACD/BCF (pH 7.4): 10.08; (7)ACD/KOC (pH 5.5): 180.83; (8)ACD/KOC (pH 7.4): 181.92; (9)#H bond acceptors: 7; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 110.17 Å2; (13)Index of Refraction: 1.643; (14)Molar Refractivity: 57.68 cm3; (15)Molar Volume: 159.5 cm3; (16)Polarizability: 22.86×10-24 cm3; (17)Surface Tension: 64.3 dyne/cm; (18)Density: 1.411 g/cm3; (19)Flash Point: 171.5 °C; (20)Enthalpy of Vaporization: 60.56 kJ/mol; (21)Boiling Point: 359.9 °C at 760 mmHg; (22)Vapour Pressure: 2.3E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(Nc1ccc(N)cc1N(=O)=O)OCC
(2) InChI: InChI=1/C9H11N3O4/c1-2-16-9(13)11-7-4-3-6(10)5-8(7)12(14)15/h3-5H,2,10H2,1H3,(H,11,13)
(3) InChIKey: HDEBGAGNWSBAOY-UHFFFAOYAC
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