Methylene Violet 3RAX supplier

Name
CI 50206
EINECS 610-268-6
CAS No. 4569-86-2
Article Data2
CAS DataBase
Density
Solubility
Melting Point 285 °C (dec.)(lit.)
Formula C₂₂H₂₃ClN₄
Boiling Point
Molecular Weight 378.904
Flash Point
Transport Information
Appearance dark green crystalline powder
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Amino-7-diethylamino-5-phenylphenaziniumchloride (7CI);Safranine, diethyl- (6CI);C.I. 50206;Diethylsafranin;
PSA 46.03000
LogP 1.67830

Synthetic route

: 62-53-3
aniline

: 93-05-0
N,N-diethylaniline

: 4569-86-2
3-amino-7-(diethylamino)-5-phenylphenazinium chloride

Conditions

Conditions	Yield
With hydrogenchloride; potassium dichromate; sodium acetate; acetic acid In water at 105℃; for 3h; Inert atmosphere; Darkness;	35%
With hydrogenchloride; potassium dichromate In aq. acetate buffer at 105℃; for 3h;	35%

: 4569-86-2
3-amino-7-(diethylamino)-5-phenylphenazinium chloride

: 4-(10,15,20-triphenyl-21H,23H-porphin-5-yl)benzoic acid

: C67H51N8O(1+)*Cl(1-)

Conditions

Conditions	Yield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In chloroform at 60℃; for 10h;	85%

: 4569-86-2
3-amino-7-(diethylamino)-5-phenylphenazinium chloride

: 53-86-1
[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid

: C41H37ClN5O3(1+)*Cl(1-)

Conditions

Conditions	Yield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In chloroform at 60℃; for 12h;	80%

: 4569-86-2
3-amino-7-(diethylamino)-5-phenylphenazinium chloride

: 98-59-9
p-toluenesulfonyl chloride

: 3-(4-methylbenzenesulfonamido)-7-(diethylamino)-5-phenylphenazinium chloride

Conditions

Conditions	Yield
With triethylamine In chloroform at 60℃; for 2h;	78%

: 4569-86-2
3-amino-7-(diethylamino)-5-phenylphenazinium chloride

: 3-bromo-7-N,N-diethylamino-5-phenyl-phenazinium bromide

Conditions

Conditions	Yield
With hydrogen bromide; sodium nitrite In water at 50℃; for 2h;	67%

: 1249429-26-2
N-(2-azidoethyl)-N-methylaniline

: 4569-86-2
3-amino-7-(diethylamino)-5-phenylphenazinium chloride

: 76-05-1
trifluoroacetic acid

: 1432151-27-3
C31H32N9(1+)*C2F3O2(1-)

Conditions

Conditions	Yield
Stage #1: 3-amino-7-(diethylamino)-5-phenylphenazinium chloride With nitrosonium tetrafluoroborate In acetonitrile at 0℃; for 0.25h; Stage #2: N-(2-azidoethyl)-N-methylaniline In acetonitrile at 0℃; for 1h; Stage #3: trifluoroacetic acid	64%

...Expand

: 1432151-88-6
N-methyl-N-(pent-4-ynyl)aniline

: 4569-86-2
3-amino-7-(diethylamino)-5-phenylphenazinium chloride

: 76-05-1
trifluoroacetic acid

: 1432152-01-6
C34H35N6(1+)*C2F3O2(1-)

Conditions

Conditions	Yield
Stage #1: 3-amino-7-(diethylamino)-5-phenylphenazinium chloride With nitrosonium tetrafluoroborate In acetonitrile at 0℃; for 0.25h; Stage #2: N-methyl-N-(pent-4-ynyl)aniline In acetonitrile at 0℃; for 1h; Stage #3: trifluoroacetic acid	60%

...Expand

: 85-44-9
phthalic anhydride

: 4569-86-2
3-amino-7-(diethylamino)-5-phenylphenazinium chloride

: C30H25N4O2(1+)*Cl(1-)

Conditions

Conditions	Yield
With pyridine at 120℃; for 12h; Inert atmosphere;	60%

: 4569-86-2
3-amino-7-(diethylamino)-5-phenylphenazinium chloride

: 3-hydroxy-7-(diethylamino)-5-phenylphenazinium chloride

Conditions

Conditions	Yield
Stage #1: 3-amino-7-(diethylamino)-5-phenylphenazinium chloride With sulfuric acid In water Stage #2: With sodium nitrite In water at -10 - 20℃; for 1.5h; Stage #3: With sulfuric acid; water; copper(II) sulfate at 105℃; for 3h;	40%

: 120-07-0
2,2'-(phenylimino)bis[ethanol]

: 4569-86-2
3-amino-7-(diethylamino)-5-phenylphenazinium chloride

: 3-diethylamino-5-phenylphenazium-7-(4'-N,N-di(2-hydroxyethyl)azobenzene) chloride

Conditions

Conditions	Yield
Stage #1: 3-amino-7-(diethylamino)-5-phenylphenazinium chloride With hydrogenchloride; sodium nitrite In methanol; water for 0.833333h; Cooling with ice; Stage #2: 2,2'-(phenylimino)bis[ethanol] With sodium hydroxide In methanol; water for 1h; pH=6;	21%

: 15885-06-0
1-[methyl(phenyl)amino]propan-2-one

: 4569-86-2
3-amino-7-(diethylamino)-5-phenylphenazinium chloride

: 76-05-1
trifluoroacetic acid

: C31H31N6O(1+)*C2F3O2(1-)

Conditions

Conditions	Yield
Stage #1: 3-amino-7-(diethylamino)-5-phenylphenazinium chloride With nitrosonium tetrafluoroborate In acetonitrile at 0℃; for 0.25h; Stage #2: 1-[methyl(phenyl)amino]propan-2-one In acetonitrile at 0℃; for 1h; Stage #3: trifluoroacetic acid	17%

...Expand

: 42871-95-4
3-(methyl(phenyl)amino)propane-1,2-diol

: 4569-86-2
3-amino-7-(diethylamino)-5-phenylphenazinium chloride

: 76-05-1
trifluoroacetic acid

: 1432152-08-3
C32H35N6O2(1+)*C2F3O2(1-)

Conditions

Conditions	Yield
Stage #1: 3-amino-7-(diethylamino)-5-phenylphenazinium chloride With nitrosonium tetrafluoroborate In acetonitrile at 0℃; for 0.25h; Stage #2: 3-(methyl(phenyl)amino)propane-1,2-diol In acetonitrile at 0℃; for 1h; Stage #3: trifluoroacetic acid	6%

...Expand

: 4569-86-2
3-amino-7-(diethylamino)-5-phenylphenazinium chloride

: 3-amino-7-ethylamino-5-phenylphenazinium 10-N-oxide

Conditions

Conditions	Yield
With sodium chlorite; sulfuric acid In water Kinetics; Further Variations:; Catalysts;

: 927-58-2
4-bromobutyroyl chloride

: 4569-86-2
3-amino-7-(diethylamino)-5-phenylphenazinium chloride

: C26H28BrN4O(1+)*Cl(1-)

Conditions

Conditions	Yield
In 1-methyl-pyrrolidin-2-one at 20℃; for 17h;

: 4569-86-2
3-amino-7-(diethylamino)-5-phenylphenazinium chloride

: 1432152-16-3
C41H40N9O2(1+)*C2F3O2(1-)

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: nitrosonium tetrafluoroborate / acetonitrile / 0.25 h / 0 °C 1.2: 1 h / 0 °C 2.1: sodium 2-(1,2-dihydroxyethyl)-4-hydroxy-5-oxo-2,5-dihydro-furan-3-olate; copper(ll) sulfate pentahydrate / dimethyl sulfoxide; water / 2 h / 20 °C / Inert atmosphere View Scheme

: 4569-86-2
3-amino-7-(diethylamino)-5-phenylphenazinium chloride

: 1432152-23-2
C39H41N11O7S*C2HF3O2

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: nitrosonium tetrafluoroborate / acetonitrile / 0.25 h / 0 °C 1.2: 1 h / 0 °C 2.1: sodium 2-(1,2-dihydroxyethyl)-4-hydroxy-5-oxo-2,5-dihydro-furan-3-olate; copper(ll) sulfate pentahydrate / dimethyl sulfoxide; water / 2 h / 20 °C / Inert atmosphere View Scheme

: 4569-86-2
3-amino-7-(diethylamino)-5-phenylphenazinium chloride

: 3-diethylamino-5-phenylphenazium-7-(4'-N,N-(2-hydroxyethyl)-(2-O-(4,4'-dimethoxytrityl)ethyl))azobenzene chloride

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: sodium nitrite; hydrogenchloride / water; methanol / 0.83 h / Cooling with ice 1.2: 1 h / pH 6 2.1: pyridine View Scheme

: 4569-86-2
3-amino-7-(diethylamino)-5-phenylphenazinium chloride

: 3-diethylamino-5-phenylphenazium-7-(4'-N,N-(2-O-(N,N'-diisopropyl-2-cyanoethylphosphite)ethyl))-(2-O-(4,4'-dimethoxytrityl)ethyl)azobenzene chloride

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: sodium nitrite; hydrogenchloride / water; methanol / 0.83 h / Cooling with ice 1.2: 1 h / pH 6 2.1: pyridine 3.1: 1H-tetrazole / acetonitrile / 2 h View Scheme

: 4569-86-2
3-amino-7-(diethylamino)-5-phenylphenazinium chloride

: C28H33N6O(1+)*Cl(1-)

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: triethylamine / dichloromethane / 8 h / 20 °C 2: potassium carbonate / acetonitrile / 2 h / 20 °C View Scheme

: 4569-86-2
3-amino-7-(diethylamino)-5-phenylphenazinium chloride

: 3RAX-N-NBD-2

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: triethylamine / dichloromethane / 8 h / 20 °C 2: potassium carbonate / acetonitrile / 2 h / 20 °C 3: triethylamine / dichloromethane / 15 h / 40 °C View Scheme

: 4569-86-2
3-amino-7-(diethylamino)-5-phenylphenazinium chloride

: 79-04-9
chloroacetyl chloride

: C24H24ClN4O(1+)*Cl(1-)

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 20℃; for 8h;

: 92-54-6
4-phenyl-1-piperazine

: 4569-86-2
3-amino-7-(diethylamino)-5-phenylphenazinium chloride

: C32H34N7(1+)*Cl(1-)

Conditions

Conditions	Yield
With hydrogenchloride In water for 3h;

Methylene Violet 3RAX Specification

This chemical is called Phenazinium, 3-amino-7-(diethylamino)-5-phenyl-, chloride (1:1), and it can also be named as Methylene Violet 3RAX. With the molecular formula of C₂₂H₂₃ClN₄, its molecular weight is 378.90. The CAS registry number of this chemical is 4569-86-2. In addition, this chemical should be sealed in the cool and dry plcace. Avoid contacting with skin and eyes when you use it.

Other characteristics of the Phenazinium, 3-amino-7-(diethylamino)-5-phenyl-, chloride (1:1) can be summarised as followings: (1)#H bond acceptors: 4; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 5; (4)Polar Surface Area: 23.25 Å².

You can still convert the following datas into molecular structure:
1.SMILES: [Cl-].n1c4c([n+](c2c1ccc(N)c2)c3ccccc3)cc(cc4)N(CC)CC
2.InChI: InChI=1/C22H22N4.ClH/c1-3-25(4-2)18-11-13-20-22(15-18)26(17-8-6-5-7-9-17)21-14-16(23)10-12-19(21)24-20;/h5-15,23H,3-4H2,1-2H3;1H
3.InChIKey: MOVNSGGBTSIUGX-UHFFFAOYAS

Product Name

CI 50206

Synthetic route

Methylene Violet 3RAX Specification

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