1,2,4,5-Tetrazine supplier

Name
s-tetrazine
EINECS
CAS No. 290-96-0
Article Data15
CAS DataBase
Density 1.316 g/cm³
Solubility
Melting Point 99°C
Formula C₂H₂N₄
Boiling Point 217.7 °C at 760 mmHg
Molecular Weight 82.0647
Flash Point 108.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms sym-Tetrazine;s-Tetrazine(6CI,8CI);
PSA 51.56000
LogP -0.73340

Synthetic route

: 3473-63-0
formamidine acetic acid

: 290-96-0
s-Tetrazine

Conditions

Conditions	Yield
With hydrazine hydrate; acetic acid; sodium nitrite In methanol 60 min, 0-10 deg C, 1 h, 10 deg C, 1 h, r.t.;	26%
Stage #1: formamidine acetic acid With hydrazine hydrate at 0℃; for 1h; Stage #2: With acetic acid; sodium nitrite at 0℃; for 3.5h;	12%
Yield given. Multistep reaction;
Stage #1: formamidine acetic acid With hydrazine hydrate at 20℃; Cooling with ice; Stage #2: With acetic acid; sodium nitrite at 5℃; for 1h; Stage #3: With sodium hydrogencarbonate In dichloromethane; water
Stage #1: formamidine acetic acid With hydrazine hydrate at 20℃; Cooling with ice; Stage #2: With acetic acid; sodium nitrite at 5℃; for 1h;

: 463-52-5
formamidine

: 290-96-0
s-Tetrazine

Conditions

Conditions	Yield
With hydrazine hydrate; acetic acid; sodium nitrite In methanol at 0℃; for 2.5h; Inert atmosphere;	5%

1.2.4.5-tetrazine-dicarboxylic acid-(3.6): 1.2.4.5-tetrazine-dicarboxylic acid-(3.6)

: 290-96-0
s-Tetrazine

Conditions

Conditions	Yield
at 160℃;

hydrazoformaldehyde dihydrazone: hydrazoformaldehyde dihydrazone

: 290-96-0
s-Tetrazine

Conditions

Conditions	Yield
With acetic acid; sodium nitrite

: 61626-05-9
1,4-Dihydro-1,2,4,5-tetrazine

: 290-96-0
s-Tetrazine

Conditions

Conditions	Yield
With sodium nitrite In acetic acid
With acetic acid; sodium nitrite at -18 - 15℃;	15 g

: 64392-62-7
formamidinium acetate

: 290-96-0
s-Tetrazine

Conditions

Conditions	Yield
Stage #1: formamidinium acetate With hydrazine hydrate at 20℃; for 1h; Stage #2: With sodium nitrite In acetic acid at 0℃; for 1.5h; Further stages.;

: 290-96-0
s-Tetrazine

: (S)-2-(2'-methoxyethenyl)-piperidine-1-carboxylic acid tert-butyl ester

: (S)-2-(pyridazine-4'-yl)-piperidine-1-carboxylic acid tert-butyl ester

Conditions

Conditions	Yield
In chloroform for 30h; Heating;	95%

: 290-96-0
s-Tetrazine

: 38199-00-7
6,7-dimethoxynaphthalene-1,4-dione

: 6,7-dimethoxy-2,3-diaza-9,10-anthraquinone

Conditions

Conditions	Yield
With α,α,α-trifluorotoluene; C18H18B2N2 at 110℃; for 20h; Diels-Alder Cycloaddition; Inert atmosphere;	95%

: 290-96-0
s-Tetrazine

: 1066-54-2
trimethylsilylacetylene

: 4-Trimethylsilanyl-pyridazine

Conditions

Conditions	Yield
In acetonitrile at 80℃; for 2h;	94%

: 290-96-0
s-Tetrazine

: 106-51-4
p-benzoquinone

: 5,8-dihydroxyphthalazine

Conditions

Conditions	Yield
With 5,10-dimethyl-5,10-dihydroboranthrene pyridazine at 55 - 110℃; Inert atmosphere; Schlenk technique; Sealed tube;	94%

: 290-96-0
s-Tetrazine

: 14630-40-1
Bis(trimethylsilyl)ethyne

: 4,5-bis(trimethylsilyl)pyridazine

Conditions

Conditions	Yield
In acetonitrile at 80℃; for 12h;	93%
In 1,4-dioxane at 79.84℃; for 12h; Inert atmosphere;

: 290-96-0
s-Tetrazine

: 130-15-4
[1,4]naphthoquinone

: 2,3-diaza-9,10-anthracenedione

Conditions

Conditions	Yield
With α,α,α-trifluorotoluene; C18H18B2N2 at 110℃; for 20h; Reagent/catalyst; Diels-Alder Cycloaddition; Inert atmosphere;	93%

: 290-96-0
s-Tetrazine

: 2166-14-5
1,2,4,5-tetrazine-3,6-dicarboxylic acid dimethyl ester

: 266674-72-0
2-[(3,4-dimethoxyphenyl)ethynyl]-4,5-dimethoxy-1-(methoxymethoxy)benzene

: 266674-73-1
dimethyl 4-(4,5-dimethoxy-2-(methoxymethoxy)phenyl)-5-(3,4-dimethoxyphenyl)-1,2-diazine-3,6-dicarboxylate

Conditions

Conditions	Yield
In 1,3,5-trimethyl-benzene	92%

...Expand

: 290-96-0
s-Tetrazine

: 935-14-8
1,4-diethynylbenzene

: 1094771-92-2
1,4-bis(pyridazin-4-yl)benzene

Conditions

Conditions	Yield
In 1,4-dioxane at 79.84℃; for 24h;	90%
In 1,4-dioxane at 80℃;	90%

: 290-96-0
s-Tetrazine

: 29263-68-1
6-methoxy-1,4-naphthoquinone

: 2,3-diaza-6-methoxyanthracene-9,10-dione

Conditions

Conditions	Yield
With α,α,α-trifluorotoluene; C18H18B2N2 at 110℃; for 20h; Diels-Alder Cycloaddition; Inert atmosphere;	88%

: 290-96-0
s-Tetrazine

: 526-86-3
2,3-dimethyl-1,4-benzoquinone

: 6,7-dimethyl-5,8-dihydroxyphthalazine

Conditions

Conditions	Yield
With 5,10-dimethyl-5,10-dihydroboranthrene pyridazine at 55 - 110℃; Inert atmosphere; Schlenk technique; Sealed tube;	88%

: 290-96-0
s-Tetrazine

: 27567-82-4
bicyclopropylidene

: 111323-53-6
C24H30N6

Conditions

Conditions	Yield
for 1.5h; Ambient temperature;	86%

: 290-96-0
s-Tetrazine

: 536-74-3
phenylacetylene

: 92184-43-5
4-phenylpyridazine

Conditions

Conditions	Yield
In 1,4-dioxane at 70℃; for 168h;	85%

: 290-96-0
s-Tetrazine

: 1785-61-1
1,3-diethynylbenzene

: 1460264-94-1
C14H10N4

Conditions

Conditions	Yield
In 1,4-dioxane at 90℃; for 25h;	85%

: 290-96-0
s-Tetrazine

: (2,3-naphthalocyaninato)ruthenium(II)

: (μ-tetrazine)(naphthalocyaninato)ruthenium(II)

Conditions

Conditions	Yield
In chloroform N2; stirred for 1 day; filtered off, extrd. (CHCl3), dried (80°C, 0.01 Torr); elem. anal.;	84%

: 290-96-0
s-Tetrazine

: 635-12-1
1,4-anthraquinone

: 2,3-diaza-5,12-naphthacenedione

Conditions

Conditions	Yield
With α,α,α-trifluorotoluene; C18H18B2N2 at 110℃; for 20h; Reagent/catalyst; Diels-Alder Cycloaddition; Inert atmosphere;	82%

: 290-96-0
s-Tetrazine

: (1R,5S)-2-(2'-methoxyethenyl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene

: (1R,5S)-8-methyl-2-(pyridazin-4'-yl)-8-azabicyclo[3.2.1]oct-2-ene

Conditions

Conditions	Yield
In toluene for 20h; Diels-Alder reaction; Heating;	81%

: 290-96-0
s-Tetrazine

: 2923-28-6
silver trifluoromethanesulfonate

: {[Ag2(1,2,4,5-tetrazine)3(trifluoromethanesulfonate)](trifluoromethanesulfonate)}n

Conditions

Conditions	Yield
In tetrahydrofuran at 20℃; for 2h; Darkness;	80%

: 290-96-0
s-Tetrazine

: ruthenium(II) phthalocyanine

(μ-s-tetrazine)-phthalocyaninatoruthenium(II): (μ-s-tetrazine)-phthalocyaninatoruthenium(II)

Conditions

Conditions	Yield
In tetrahydrofuran for 144h; Heating;	78%

: 290-96-0
s-Tetrazine

: 27636-56-2
ruthenium(II) phthalocyanine

: 107011-21-2
(μ-s-tetrazine)phthalocyaninatoruthenium(II)

Conditions

Conditions	Yield
In tetrahydrofuran silght excess of ligand, mixt. refluxed for 6 ds under inert atm., cooled; filtered, washed (acetone), dried 70°C, vac.), elem. anal.;	78%

: 290-96-0
s-Tetrazine

: 917-92-0
2,2-dimethyl-3-butyne

: 4-tert-Butyl-pyridazine

Conditions

Conditions	Yield
for 672h; Ambient temperature;	74%

: 290-96-0
s-Tetrazine

: (E/Z)-exo-2-(2-methoxyethenyl)-7-azabicyclo[2.2.1]heptane-7-carboxylic acid ethyl ester

: exo-2-(pyridazin-4-yl)-7-azabicyclo[2.2.1]heptane-7-carboxylic acid ethyl ester

Conditions

Conditions	Yield
In toluene for 12h; Diels-Alder inverse type reaction; Heating;	74%

1,2,4,5-Tetrazine Specification

The 1,2,4,5-Tetrazine, with the CAS registry number 290-96-0, is also known as sym-Tetrazine. This chemical's molecular formula is C₂H₂N₄ and molecular weight is 82.0641. Its systematic name is called 1,2,4,5-tetrazine. This chemical's classification code is Mutation data.

Physical properties of 1,2,4,5-Tetrazine: (1)ACD/LogP: -1.96; (2)ACD/LogD (pH 5.5): -1.96; (3)ACD/LogD (pH 7.4): -1.96; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 2.03; (7)ACD/KOC (pH 7.4): 2.03; (8)#H bond acceptors: 4; (9)Index of Refraction: 1.509; (10)Molar Refractivity: 18.61 cm³; (11)Molar Volume: 62.3 cm³; (12)Surface Tension: 75.7 dyne/cm; (13)Density: 1.316 g/cm³; (14)Flash Point: 108.1 °C; (15)Enthalpy of Vaporization: 43.56 kJ/mol; (16)Boiling Point: 217.7 °C at 760 mmHg; (17)Vapour Pressure: 0.192 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1ncnnc1
(2)InChI: InChI=1/C2H2N4/c1-3-5-2-6-4-1/h1-2H
(3)InChIKey: HTJMXYRLEDBSLT-UHFFFAOYAH

Product Name

s-tetrazine

Synthetic route

1,2,4,5-Tetrazine Specification

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