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| CAS No.: | 40276-11-7 |
|---|---|
| Name: | 2,5-DIMETHOXY-BETA-NITROSTYRENE |
| Article Data: | 10 |
| Molecular Structure: | |
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| Formula: | C10H11NO4 |
| Molecular Weight: | 209.202 |
| Synonyms: | Styrene,2,5-dimethoxy-b-nitro-(6CI,7CI);2,5-Dimethoxy-b-nitrostyrene;NSC 158921;NSC 610188; |
| Density: | 1.197g/cm3 |
| Melting Point: | 116-120 °C(lit.) |
| Boiling Point: | 350.8oC at 760mmHg |
| Flash Point: | 163.2oC |
| Appearance: | orange crystalline powder |
| Safety: | 22-24/25 |
| PSA: | 64.28000 |
| LogP: | 2.47440 |
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- 43224-75-52,2,6,6-Tetramethyl-4-(2-propyleneoxy) Piperidine
- 75-52-5
nitromethane
- 93-02-7
2,5-dimethoxybenzaldehyde
- 40276-11-7
(E)-1,4-dimethoxy-2-(2-nitrovinyl) benzene
| Conditions | Yield |
|---|---|
| With ethylenediamine diacetic acid In isopropyl alcohol at 20℃; for 24h; | 92% |
| With potassium hydroxide; ethanol Behandeln des Reaktionsproduktes mit Salzsaeure; | |
| (i) Et3N, (ii) NaOAc, Ac2O; Multistep reaction; |
- 75-52-5
nitromethane
- 64-17-5
ethanol
- 93-02-7
2,5-dimethoxybenzaldehyde
- 40276-11-7
(E)-1,4-dimethoxy-2-(2-nitrovinyl) benzene
- 924-44-7
glyoxylic acid ethyl ester
- 40276-11-7
(E)-1,4-dimethoxy-2-(2-nitrovinyl) benzene
| Conditions | Yield |
|---|---|
| With dmap In acetonitrile at 20℃; for 0.0833333h; Morita-Baylis-Hillman reaction; | 99% |
- 40276-11-7
(E)-1,4-dimethoxy-2-(2-nitrovinyl) benzene
| Conditions | Yield |
|---|---|
| With sodium azide; acetic acid In N,N-dimethyl-formamide at 200℃; Sealed tube; | 91% |
- 6037-73-6
1-benzyl-2,3-dihydro-1H-indole
- 40276-11-7
(E)-1,4-dimethoxy-2-(2-nitrovinyl) benzene
| Conditions | Yield |
|---|---|
| Stage #1: (E)-1,4-dimethoxy-2-(2-nitrovinyl) benzene With zinc trifluoromethanesulfonate In ethanol at 20℃; for 0.5h; Stage #2: 1-benzyl-2,3-dihydro-1H-indole In ethanol at 20℃; for 12.08h; | 89% |
- 120-72-9
indole
- 40276-11-7
(E)-1,4-dimethoxy-2-(2-nitrovinyl) benzene
- 1335106-54-1
3-(1-(2,5-dimethoxyphenyl)-2-nitroethyl)-1H-indole
| Conditions | Yield |
|---|---|
| With C84H114F9N3O12S3 In water at 37℃; for 16h; Michael Addition; | 88% |
| With graphite oxide In tetrahydrofuran; water at 20℃; for 36h; Friedel Crafts addition; | 40% |
- 40276-11-7
(E)-1,4-dimethoxy-2-(2-nitrovinyl) benzene
| Conditions | Yield |
|---|---|
| Stage #1: methyl (E)-4-(((2-nitrophenyl)sulfonamido)oxy)but-2-enoate With 1-(3,5-bis(trifluoromethyl)phenyl)-3-((S)-quinolin-4-yl((1S,2S,4S,5R)-5-vinylquinu clidin-2-yl)methyl)thiourea In toluene for 0.0833333h; Sealed tube; Stage #2: (E)-1,4-dimethoxy-2-(2-nitrovinyl) benzene In toluene at 20℃; for 144h; Sealed tube; stereoselective reaction; | 87% |
- 40276-11-7
(E)-1,4-dimethoxy-2-(2-nitrovinyl) benzene
- 131242-36-9
2-sulfanylpyrimidine
| Conditions | Yield |
|---|---|
| In dichloromethane at 20℃; for 0.5h; Michael Addition; | 85% |
- 55177-35-0
(E)-4-phenyl-2-butenal
- 40276-11-7
(E)-1,4-dimethoxy-2-(2-nitrovinyl) benzene
- 1356935-68-6
2-((1R,2S,3R,4R)-3-(2,5-dimethoxyphenyl)-2-nitro-4-phenylcyclobutyl)acetaldehyde
| Conditions | Yield |
|---|---|
| With diethylacetamide; (S)-3-(3,5-bis(trifluoromethyl)phenylamino)-4-(pyrrolidin-2-ylmethylamino)cyclobut-3-ene-1,2-dione; water In dichloromethane at 20℃; for 40h; optical yield given as %ee; stereoselective reaction; | 83% |
- 40276-11-7
(E)-1,4-dimethoxy-2-(2-nitrovinyl) benzene
- 5633-34-1
(benzoylmethylene)dimethylsulfurane
A
- 1380095-15-7
(4R,5S)-5-benzoyl-4-(2,5-dimethoxyphenyl)oxazolidin-2-one
| Conditions | Yield |
|---|---|
| Stage #1: (E)-1,4-dimethoxy-2-(2-nitrovinyl) benzene With dmap; 1,1'-((1R,2R)-1,2-diphenylethane-1,2-diyl)bis(3-(3,5-bis(trifluoromethyl)phenyl)urea); o-chlorophenylthiourea In 5,5-dimethyl-1,3-cyclohexadiene at -35℃; for 0.5h; Stage #2: (benzoylmethylene)dimethylsulfurane In 5,5-dimethyl-1,3-cyclohexadiene at -35 - 35℃; for 120h; optical yield given as %ee; enantioselective reaction; | A 83% B n/a |
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Specification
The Benzene,1,4-dimethoxy-2-(2-nitroethenyl)-, with CAS registry number 40276-11-7, has the systematic name of 1,4-dimethoxy-2-[(E)-2-nitroethenyl]benzene. This chemical is a kind of orange crystalline powder. When use this chemical, do not breathe dust and avoid contact with skin and eyes.
Physical properties of Benzene,1,4-dimethoxy-2-(2-nitroethenyl)-: (1)ACD/LogP: 2.18; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 64.28 Å2; (7)Index of Refraction: 1.564; (8)Molar Refractivity: 56.88 cm3; (9)Molar Volume: 174.6 cm3; (10)Polarizability: 22.55×10-24cm3; (11)Surface Tension: 41.1 dyne/cm; (12)Enthalpy of Vaporization: 57.2 kJ/mol; (13)Vapour Pressure: 8.66E-05 mmHg at 25°C.
Uses of p-Chloropropiophenone: it can be used to produce 2,5-dimethoxy-phenethylamine. This reaction will need reagents aqueous hydrochloric acid, ethanol, acetic acid.
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You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)\C=C\c1cc(OC)ccc1OC
(2)InChI: InChI=1/C10H11NO4/c1-14-9-3-4-10(15-2)8(7-9)5-6-11(12)13/h3-7H,1-2H3/b6-5+
(3)InChIKey: IRRZIWHEPWPPJF-AATRIKPKBS
(4)Std. InChI: InChI=1S/C10H11NO4/c1-14-9-3-4-10(15-2)8(7-9)5-6-11(12)13/h3-7H,1-2H3/b6-5+
(5)Std. InChIKey: IRRZIWHEPWPPJF-AATRIKPKSA-N