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| CAS No.: | 120738-89-8 |
|---|---|
| Name: | Nitenpyram |
| Article Data: | 9 |
| Molecular Structure: | |
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|
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| Formula: | C11H15ClN4O2 |
| Molecular Weight: | 270.719 |
| Synonyms: | N-[(6-chloropyridin-3-yl)methyl]-N-ethyl-N'-methyl-2-nitroethene-1,1-diamine;Capstar; |
| Density: | 1.254 g/cm3 |
| Melting Point: | 83.5 °C |
| Boiling Point: | 417.2 °C at 760 mmHg |
| Flash Point: | 206.1 °C |
| Solubility: | 8.4 x 105 mg l-1 (20 °C,pH 7) |
| Appearance: | Yellow or white crystalline powder |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | R22; R36/37/38 |
| Transport Information: | UN 2588 |
| PSA: | 73.98000 |
| LogP: | 2.76600 |
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- 74-89-5
methylamine
- 120738-89-8
nitenpyram
| Conditions | Yield |
|---|---|
| at 3 - 7℃; | 58% |
- 120739-77-7
N-(6-chloro-pyridin-3-yl)methyl-N-ethylamine
- 102721-76-6, 61832-41-5
2-methylamino-2-methylthio-1-nitroethene
- 120738-89-8
nitenpyram
| Conditions | Yield |
|---|---|
| With silver(I) acetate In ethanol at 25℃; | 38.1% |
- 120740-46-7
N-((6-chloropyridin-3-yl)methyl)-N-ethyl-1-(methylthio)-2-nitroethenamine
- 74-89-5
methylamine
- 120738-89-8
nitenpyram
| Conditions | Yield |
|---|---|
| In ethanol Reflux; | 29.5% |
| In ethanol at 0℃; | 27% |
| In ethanol at 0℃; | 19.1% |
- 120739-77-7
N-(6-chloro-pyridin-3-yl)methyl-N-ethylamine
- 120738-89-8
nitenpyram
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: chloroform / 2 - 7 °C 2: 3 - 7 °C View Scheme | |
| Multi-step reaction with 2 steps 1: ethanol / Reflux 2: ethanol / 0 °C View Scheme | |
| Multi-step reaction with 2 steps 1: ethanol / Reflux 2: ethanol / Reflux View Scheme | |
| Multi-step reaction with 2 steps 1: ethanol / 8 h / Reflux 2: ethanol / 0 °C View Scheme |
- 70258-18-3
2-chloro-5-(chloromethyl)pyridine
- 120738-89-8
nitenpyram
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 2: chloroform / 2 - 7 °C 3: 3 - 7 °C View Scheme | |
| Multi-step reaction with 3 steps 1: acetonitrile / 3.5 h / 0 °C 2: ethanol / Reflux 3: ethanol / 0 °C View Scheme | |
| Multi-step reaction with 2 steps 1: acetonitrile / 0 - 5 °C 2: silver(I) acetate / ethanol / 25 °C View Scheme |
- 505-14-6
thiocyanogen
- 120738-89-8
nitenpyram
- 1408310-75-7
N-((6-chloropyridin-3-yl)methyl)-N-ethyl-2-imino-3-methyl-5-nitro-2,3-dihydrothiazol-4-amine
| Conditions | Yield |
|---|---|
| With piperidine In dichloromethane at -15 - 20℃; for 1.5h; | 84% |
- 50-00-0
formaldehyd
- 6937-16-2
ethyl γ-aminobutyrate hydrochloride
- 120738-89-8
nitenpyram
- 1296790-82-3
4-[(4Z)-4-[[(6-chloro-3-pyridinyl)methyl]ethylamino]-3-methyl-5-nitro-1,2,3,6-tetrahydropyrimidin-1-yl] butyric acid ethyl ester
| Conditions | Yield |
|---|---|
| With triethylamine In ethanol at 65℃; for 0.416667h; Microwave irradiation; | 78.8% |
- 50-00-0
formaldehyd
- 13049-01-9
glycine 1-propyl ester hydrochloride
- 120738-89-8
nitenpyram
- 1296790-71-0
2-[(4Z)-4-[[(6-chloro-3-pyridinyl)methyl]ethylamino]-3-methyl-5-nitro-1,2,3,6-tetrahydropyrimidin-1-yl] acetic acid propyl ester
| Conditions | Yield |
|---|---|
| With triethylamine In ethanol at 65℃; for 0.416667h; Microwave irradiation; | 78.7% |
- 50-00-0
formaldehyd
- 3196-73-4
methyl 3-aminopropanoate hydrochloride
- 120738-89-8
nitenpyram
- 1240263-23-3
3-[(4Z)-4-[[(6-chloro-3-pyridinyl)methyl]ethylamino]-3-methyl-5-nitro-1,2,3,6-tetrahydropyrimidin-1-yl] propionic acid methyl ester
| Conditions | Yield |
|---|---|
| With triethylamine In ethanol at 65℃; for 0.416667h; Microwave irradiation; | 78.2% |
- 50-00-0
formaldehyd
- 13031-60-2
methyl γ-aminobutyrate hydrochloride
- 120738-89-8
nitenpyram
- 1296790-81-2
4-[(4Z)-4-[[(6-chloro-3-pyridinyl)methyl]ethylamino]-3-methyl-5-nitro-1,2,3,6-tetrahydropyrimidin-1-yl] butyric acid methyl ester
| Conditions | Yield |
|---|---|
| With triethylamine In ethanol at 65℃; for 0.416667h; Microwave irradiation; | 78.1% |
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Specification
The 1,1-Ethenediamine,N-[(6-chloro-3-pyridinyl)methyl]-N-ethyl-N'-methyl-2-nitro-, with the CAS registry number 120738-89-8, has the systematic name of N-[(6-chloropyridin-3-yl)methyl]-N-ethyl-N'-methyl-2-nitroethene-1,1-diamine. And the molecular formula of the chemical is C11H15ClN4O2.
The characteristics of 1,1-Ethenediamine,N-[(6-chloro-3-pyridinyl)methyl]-N-ethyl-N'-methyl-2-nitro- are as followings: (1)ACD/LogP: 1.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.9; (4)ACD/LogD (pH 7.4): 1.9; (5)ACD/BCF (pH 5.5): 16.44; (6)ACD/BCF (pH 7.4): 16.46; (7)ACD/KOC (pH 5.5): 258.17; (8)ACD/KOC (pH 7.4): 258.4; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 65.19 Å2; (13)Index of Refraction: 1.567; (14)Molar Refractivity: 70.55 cm3; (15)Molar Volume: 215.7 cm3; (16)Polarizability: 27.97×10-24cm3; (17)Surface Tension: 48.2 dyne/cm; (18)Density: 1.254 g/cm3; (19)Flash Point: 206.1 °C; (20)Enthalpy of Vaporization: 67.05 kJ/mol; (21)Boiling Point: 417.2 °C at 760 mmHg; (22)Vapour Pressure: 3.61E-07 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1ncc(cc1)CN(C(=C[N+]([O-])=O)NC)CC
(2)InChI: InChI=1/C11H15ClN4O2/c1-3-15(11(13-2)8-16(17)18)7-9-4-5-10(12)14-6-9/h4-6,8,13H,3,7H2,1-2H3
(3)InChIKey: CFRPSFYHXJZSBI-UHFFFAOYAU