4,5-Dimethoxy-2-nitroaniline supplier

Name
4,5-Dimethoxy-2-nitroaniline
EINECS
CAS No. 7595-31-5
Article Data20
CAS DataBase
Density 1.307 g/cm³
Solubility
Melting Point 171 °C
Formula C₈H₁₀N₂O₄
Boiling Point 383 °C at 760 mmHg
Molecular Weight 198.178
Flash Point 185.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Aniline,4,5-dimethoxy-2-nitro- (7CI,8CI);2-Nitro-4,5-dimethoxyaniline;3,4-Dimethoxy-6-nitroaniline;4,5-Dimethoxy-2-nitroaniline;4-Amino-5-nitroveratrole;
PSA 90.30000
LogP 2.29860

Synthetic route

: 99069-17-7
4-Acetylamino-1,2-dimethoxy-5-nitrobenzene

: 7595-31-5
4-amino-5-nitroveratrol

Conditions

Conditions	Yield
With potassium hydroxide In methanol; water for 0.5h; Heating;	95%
With hydrogenchloride
With hydrogenchloride

: N-(4,5-dimethoxy-2-nitrophenyl)pyrimidin-2-amine

: 7595-31-5
4-amino-5-nitroveratrol

Conditions

Conditions	Yield
Stage #1: N-(4,5-dimethoxy-2-nitrophenyl)pyrimidin-2-amine With triethylsilane; trifluoroacetic acid at 50℃; Inert atmosphere; Stage #2: With acetic acid; hydrazine In methanol at 20℃; Inert atmosphere; regioselective reaction;	76%

: 3395-03-7
4,5-dimethoxy-1,2-dinitrobenzene

: 7595-31-5
4-amino-5-nitroveratrol

Conditions

Conditions	Yield
With benzophenone; triethylamine In isopropyl alcohol for 1h; Irradiation;	19%
With ammonia at 150℃;
With ethanol; palladium Hydrogenation;
With hydrogenchloride; tin(ll) chloride

: 3395-03-7
4,5-dimethoxy-1,2-dinitrobenzene

: 124-40-3
dimethyl amine

A: 7595-31-5
4-amino-5-nitroveratrol

B: 20278-59-5
4,5-dinitro-2-methoxyaniline

C: 2,4-diamino-5-nitroanisole

D: 111611-40-6
5,6-dimethoxy-2,1,3-benzoxadiazole

E: 5-dimethylamino-6-methoxybenzofurazane

F: N,N-dimethyl-4,5-dinitro-2-methoxyaniline

Conditions

Conditions	Yield
In methanol for 4h; Product distribution; Mechanism; Irradiation; different amines, reagents, solvent and reaction time;	A 19% B n/a C n/a D 13% E n/a F n/a

...Expand

: 3395-03-7
4,5-dimethoxy-1,2-dinitrobenzene

: 631-61-8
ammonium acetate

: 7595-31-5
4-amino-5-nitroveratrol

Conditions

Conditions	Yield
at 130 - 135℃;

: 30710-17-9
3,4-dimethoxy-2-nitroaniline

A: 7595-31-5
4-amino-5-nitroveratrol

B: 99069-17-7
4-Acetylamino-1,2-dimethoxy-5-nitrobenzene

Conditions

Conditions	Yield
With phosphoric acid; acetic acid at 140 - 160℃;

: 67-56-1
methanol

: 3395-03-7
4,5-dimethoxy-1,2-dinitrobenzene

: 7664-41-7
ammonia

: 7595-31-5
4-amino-5-nitroveratrol

Conditions

Conditions	Yield
at 150℃;
at 125℃;

...Expand

: 7647-01-0
hydrogenchloride

: 3395-03-7
4,5-dimethoxy-1,2-dinitrobenzene

tin (II)-chloride: tin (II)-chloride

: 7595-31-5
4-amino-5-nitroveratrol

...Expand

: 86119-84-8, 7664-38-2
phosphoric acid

: 30710-17-9
3,4-dimethoxy-2-nitroaniline

: 64-19-7
acetic acid

A: 7595-31-5
4-amino-5-nitroveratrol

B: 99069-17-7
4-Acetylamino-1,2-dimethoxy-5-nitrobenzene

Conditions

Conditions	Yield
at 140 - 160℃;

...Expand

: acetoacetic acid-(4,5-dimethoxy-2-nitro-anilide)

mineral oil: mineral oil

: 7595-31-5
4-amino-5-nitroveratrol

Conditions

Conditions	Yield
at 230℃;

: 709-09-1
3,4-dimethoxynitrobenzene

: 7595-31-5
4-amino-5-nitroveratrol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 2: 95 percent / KOH / H2O; methanol / 0.5 h / Heating View Scheme
Multi-step reaction with 2 steps 1: nitric acid 2: tin (II)-chloride; alcoholic hydrochloric acid View Scheme
With potassium tert-butylate; N-methoxylamine hydrochloride; copper diacetate In N,N-dimethyl-formamide at -10 - 15℃;

: 91-16-7
1,2-dimethoxybenzene

: 7595-31-5
4-amino-5-nitroveratrol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 90 percent / fuming nitric acid / acetic acid / 0.5 h / Ambient temperature 2: 19 percent / benzophenone, triethylamine / propan-2-ol / 1 h / Irradiation View Scheme
Multi-step reaction with 2 steps 1: glacial acetic acid; aqueous nitric acid / <40 / anschliessendes Behandeln mit Salpetersaeure <30grad 2: methanol.ammonia / 150 °C View Scheme

: 881-70-9
3',4'-dimethoxyacetanilide

: 7595-31-5
4-amino-5-nitroveratrol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: nitric acid 2: sulfuric acid / 100 °C View Scheme
Multi-step reaction with 2 steps 1: glacial acetic acid; nitric acid 2: concentrated hydrochloric acid View Scheme

: 145352-75-6
2-acetamido-4,5-dimethoxybenzoic acid

: 7595-31-5
4-amino-5-nitroveratrol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: nitric acid 2: sulfuric acid / 100 °C View Scheme

: 4101-32-0
4',5'-dimethoxy-2'-nitroacetophenone

: 7595-31-5
4-amino-5-nitroveratrol

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: iron; aq.-ethanolic acetic acid 3: nitric acid; acetic acid / <-10 4: aq.-ethanolic hydrochloric acid View Scheme

: 148842-95-9
acetic acid-(2-acetyl-4,5-dimethoxy-anilide)

: 7595-31-5
4-amino-5-nitroveratrol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: nitric acid; acetic acid / <-10 2: aq.-ethanolic hydrochloric acid View Scheme

: 4101-30-8
2-amino-4,5-dimethoxyacetophenone

: 7595-31-5
4-amino-5-nitroveratrol

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 2: nitric acid; acetic acid / <-10 3: aq.-ethanolic hydrochloric acid View Scheme

: 1131-62-0
1-(3,4-dimethoxyphenyl)ethanone

: 7595-31-5
4-amino-5-nitroveratrol

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: aqueous nitric acid; sulfuric acid / -3 °C 2: iron; aq.-ethanolic acetic acid 4: nitric acid; acetic acid / <-10 5: aq.-ethanolic hydrochloric acid View Scheme

: 6315-89-5
3,4-dimethoxyaniline

: 7595-31-5
4-amino-5-nitroveratrol

methanolic ammonia: methanolic ammonia

: 3395-03-7
4,5-dimethoxy-1,2-dinitrobenzene

: 7595-31-5
4-amino-5-nitroveratrol

Conditions

Conditions	Yield
With ammonia In methanol

: C12H13N3O2

: 7595-31-5
4-amino-5-nitroveratrol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: palladium diacetate; silver(I) nitrite; dipotassium peroxodisulfate; acetic acid / 1,2-dichloro-ethane / 80 °C / Inert atmosphere 2.1: trifluoroacetic acid; triethylsilane / 50 °C / Inert atmosphere 2.2: 20 °C / Inert atmosphere View Scheme

: 7595-31-5
4-amino-5-nitroveratrol

: 74-88-4
methyl iodide

: 4496-11-1
N-methyl-2-nitro-4,5-dimethoxyaniline

Conditions

Conditions	Yield
With sodium hydride In N,N-dimethyl-formamide 0-5 deg C, 10 min; 0-5 deg C, 1 h; RT, 1 h;	96%

: 7595-31-5
4-amino-5-nitroveratrol

COCl2: COCl2

: 113475-67-5
4,5-Dimethoxy-2-nitrophenyl Isocyanate

Conditions

Conditions	Yield
In xylene	90%

: 67-56-1
methanol

: 924-44-7
glyoxylic acid ethyl ester

: 7595-31-5
4-amino-5-nitroveratrol

: 663932-54-5
α-(4,5-dimethoxy-2-nitrophenylamino)-α-methoxyacetic acid ethyl ester

Conditions

Conditions	Yield
for 17h; Condensation; Heating;	89%
at 65℃; for 17h;	89%
In toluene at 20℃; Heating / reflux; Dean-Stark trap;	88.1%

...Expand

: 696-59-3
cis,trans-2,5-dimethoxytetrahydrofuran

: 7595-31-5
4-amino-5-nitroveratrol

: 56721-98-3
4,5-dimethoxy-2-pyrrolo-1-nitrobenzene

Conditions

Conditions	Yield
With acetic acid for 0.166667h; Heating;	85%

: 492-73-9
2,2'-Pyridil

: 7595-31-5
4-amino-5-nitroveratrol

: 6,7-dimethoxy-2,3-di(pyridin-2-yl)quinoxaline

Conditions

Conditions	Yield
With indium; acetic acid In methanol at 50℃; for 1h; Inert atmosphere;	80%

: 7595-31-5
4-amino-5-nitroveratrol

: 84-11-7
9,10-phenanthrenequinone

: 100436-09-7
11,12-dimethoxydibenzo[a,c]phenazine

Conditions

Conditions	Yield
With indium; acetic acid In methanol for 12h; Reflux; Inert atmosphere;	72%

: 7595-31-5
4-amino-5-nitroveratrol

: 431-03-8
dimethylglyoxal

: 32388-00-4
6,7-dimethoxy-2,3-dimethylquinoxaline

Conditions

Conditions	Yield
With indium; indium(III) chloride In methanol for 2h; Reflux; Inert atmosphere;	68%

: 7595-31-5
4-amino-5-nitroveratrol

: 134-81-6
benzil

: 32388-01-5
6,7-dimethoxy-2,3-diphenylquinoxaline

Conditions

Conditions	Yield
With indium; indium(III) chloride In methanol for 0.833333h; Reagent/catalyst; Reflux; Inert atmosphere;	65%

: 7333-07-5
2,2'-thenil

: 7595-31-5
4-amino-5-nitroveratrol

: 861883-42-3
6,7-dimethoxy-2,3-di-2-thiophenylquinoxaline

Conditions

Conditions	Yield
With indium; acetic acid In methanol for 0.333333h; Reflux; Inert atmosphere;	53%

: 33842-23-8
6-bromo-5-nitro-benzo[1,3]dioxole-4-carboxylic acid methyl ester

: 7595-31-5
4-amino-5-nitroveratrol

: 93415-83-9
N-(4',5'-Dimethoxy-2'-nitrophenyl)-6-amino-4-carbomethoxy-5-nitro-1,3-benzdioxol

Conditions

Conditions	Yield
With copper; potassium carbonate In nitrobenzene for 0.25h; Heating;	32%

: 7595-31-5
4-amino-5-nitroveratrol

: 123-73-9
crotonaldehyde

: 64992-96-7
4-methyl-5,6-dimethoxy-8-nitroquinoline

Conditions

Conditions	Yield
With phosphoric acid; orthoarsenic acid at 100℃; for 0.5h;	30%

: 7595-31-5
4-amino-5-nitroveratrol

: 78-94-4
methyl vinyl ketone

A: 64992-95-6
8-amino-5,6-dimethoxy-4-methylquinoline

B: 64992-96-7
4-methyl-5,6-dimethoxy-8-nitroquinoline

Conditions

Conditions	Yield
	A n/a B 27%

...Expand

: 625-33-2
3-penten-2-one

: 7595-31-5
4-amino-5-nitroveratrol

: 82082-03-9
5,6-dimethoxy-2,4-dimethyl-8-nitroquinoline

Conditions

Conditions	Yield
With phosphoric acid; orthoarsenic acid at 100℃; for 0.5h;	26%

: 7595-31-5
4-amino-5-nitroveratrol

: 107-02-8
acrolein

: 5333-02-8
5,6-dimethoxy-8-nitroquinoline

Conditions

Conditions	Yield
With phosphoric acid; orthoarsenic acid at 100℃; for 0.5h;	22%
With phosphoric acid; orthoarsenic acid at 100℃;
With phosphoric acid; arsenic(III) trioxide at 100℃; for 3h;

: 32830-97-0
1-chloro-3-pentanone

: 7595-31-5
4-amino-5-nitroveratrol

: 98509-92-3
5,6-dimethoxy-4-ethyl-8-nitroquinoline

Conditions

Conditions	Yield
With phosphoric acid at 85 - 93℃; for 2.5h;	18%

: 7595-31-5
4-amino-5-nitroveratrol

: 3102-33-8
trans-3-penten-2-one

A: 64993-02-8
8-amino-5,6-dimethoxy-2,4-dimethylquinoline

B: 82082-03-9
5,6-dimethoxy-2,4-dimethyl-8-nitroquinoline

Conditions

Conditions	Yield
	A n/a B 14%

...Expand

: 7595-31-5
4-amino-5-nitroveratrol

: 709-09-1
3,4-dimethoxynitrobenzene

Conditions

Conditions	Yield
Verkochen.Diazotization;

: 7595-31-5
4-amino-5-nitroveratrol

: 27841-33-4
4,5-dimethoxybenzene-1,2-diamine

Conditions

Conditions	Yield
With hydrogenchloride; tin(ll) chloride
With hydrogen; nickel In tetrahydrofuran at 60 - 70℃;
With palladium on activated charcoal; hydrogen

: 7595-31-5
4-amino-5-nitroveratrol

: 108-24-7
acetic anhydride

: 99069-17-7
4-Acetylamino-1,2-dimethoxy-5-nitrobenzene

: 7595-31-5
4-amino-5-nitroveratrol

: 141-97-9
ethyl acetoacetate

: acetoacetic acid-(4,5-dimethoxy-2-nitro-anilide)

Conditions

Conditions	Yield
at 160℃;

: 7595-31-5
4-amino-5-nitroveratrol

: 56-81-5
glycerol

: 5333-02-8
5,6-dimethoxy-8-nitroquinoline

Conditions

Conditions	Yield
With arsenic(V) oxide; sulfuric acid
With arsenic(V) oxide; phosphoric acid; sulfuric acid at 80℃;

: 7595-31-5
4-amino-5-nitroveratrol

: 105-53-3
diethyl malonate

: 26002-74-4
(4,5-Dimethoxy-2-nitrophenyl)-azomalonsaeurediethylester

Conditions

Conditions	Yield
(i) aq. NaNO2, aq. HCl, (ii) /BRN= 774687/, NaOAc; Multistep reaction;
With cis-nitrous acid; potassium carbonate 1) 0 deg C; Multistep reaction;

: 7595-31-5
4-amino-5-nitroveratrol

: 78-94-4
methyl vinyl ketone

: 64992-96-7
4-methyl-5,6-dimethoxy-8-nitroquinoline

Conditions

Conditions	Yield
With phosphoric acid; orthoarsenic acid at 100℃; for 2h; Yield given;

4,5-Dimethoxy-2-nitroaniline Specification

The 4,5-Dimethoxy-2-nitroaniline, with the CAS registry number 7595-31-5, is also known as Benzenamine, 4,5-dimethoxy-2-nitro-. This chemical's molecular formula is C₈H₁₀N₂O₄ and molecular weight is 198.18. Its IUPAC name is called 4,5-dimethoxy-2-nitroaniline.

Physical properties about this chemical are: (1)ACD/LogP: 1.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.91; (4)ACD/LogD (pH 7.4): 1.91; (5)ACD/BCF (pH 5.5): 16.74; (6)ACD/BCF (pH 7.4): 16.74; (7)ACD/KOC (pH 5.5): 261.62; (8)ACD/KOC (pH 7.4): 261.62; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.579; (13)Molar Refractivity: 50.39 cm³; (14)Molar Volume: 151.5 cm³; (15)Surface Tension: 49.4 dyne/cm; (16)Density: 1.307 g/cm³; (17)Flash Point: 185.4 °C; (18)Enthalpy of Vaporization: 63.15 kJ/mol; (19)Boiling Point: 383 °C at 760 mmHg; (20)Vapour Pressure: 4.54E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=C(C=C(C(=C1)N)[N+](=O)[O-])OC
(2)InChI: InChI=1S/C8H10N2O4/c1-13-7-3-5(9)6(10(11)12)4-8(7)14-2/h3-4H,9H2,1-2H3
(3)InChIKey: LDAJFLKWQVYIFG-UHFFFAOYSA-N

Product Name

4,5-Dimethoxy-2-nitroaniline

Synthetic route

4,5-Dimethoxy-2-nitroaniline Specification

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