Pyridine,2,6-dichloro-, 1-oxide supplier

Name
2,6-DICHLOROPYRIDINE N-OXIDE
EINECS
CAS No. 2587-00-0
Article Data31
CAS DataBase
Density 1.47 g/cm³
Solubility
Melting Point 138-142oC(lit.)
Formula C₅H₃Cl₂NO
Boiling Point 344.2 °C at 760 mmHg
Molecular Weight 163.991
Flash Point 162 °C
Transport Information
Appearance Slightly yellow-cream crystalline powder
Safety 36/37/39-26-22
Risk Codes 36/37/38-20/21/22
Molecular Structure
Hazard Symbols Xn
Synonyms 2,6-Dichloropyridine1-oxide;2,6-Dichloropyridine-N-oxide;NSC 136569;
PSA 25.46000
LogP 2.42190

Synthetic route

: 2402-78-0
2,6-dichloropyridine

: 2587-00-0
2,6-dichloropyridine N-oxide

Conditions

Conditions	Yield
With dihydrogen peroxide; trifluoroacetic acid at 80℃; for 2h; Reagent/catalyst; Temperature;	90.15%
With dihydrogen peroxide; trifluoroacetic acid In water at 0℃; for 6.5h; Reflux;	87.6%
With dihydrogen peroxide; trifluoroacetic acid In water for 6.5h; Reflux;	87.6%

: 2402-78-0
2,6-dichloropyridine

: 7722-84-1
dihydrogen peroxide

: 2587-00-0
2,6-dichloropyridine N-oxide

Conditions

Conditions	Yield
With trifluoroacetic acid

: 2587-00-0
2,6-dichloropyridine N-oxide

: 2402-78-0
2,6-dichloropyridine

Conditions

Conditions	Yield
With 2-methyl-but-2-ene; trans-dioxo(5,10,15,20-tetramesitylporphirinato)ruthenium(VI) In benzene at 30℃; for 15h;	94%
With (4,4′-di-tert-butyl-2,2′-bipyridine)bis[(2-pyridinyl)phenyl]iridium(III) hexafluorophosphate; di-tert-butyl 1,4-dihydro-2,6-dimethyl-3,5-pyridine-dicarboxylate In acetonitrile at 20℃; for 0.75h; Inert atmosphere; Irradiation; chemoselective reaction;	92%
With ammonium formate; silica gel; zinc In methanol at 20℃; for 0.166667h; chemoselective reaction;	88%

: 2587-00-0
2,6-dichloropyridine N-oxide

: 111-87-5
octanol

: 162912-64-3
1-hydroxy-6-(octyloxy)pyridine-2(1H)-one

Conditions

Conditions	Yield
With sodium hydroxide In water at 20 - 120℃; pH=3.5 - 4.0; Reflux;	90.6%

: 2587-00-0
2,6-dichloropyridine N-oxide

: 16063-69-7
2,4,6-trichloropyridine

Conditions

Conditions	Yield
With trichlorophosphate for 4h; Reflux;	85%
With trichlorophosphate for 4h; Reflux;	85%
With trichlorophosphate for 4h; Reflux;	85%

: 2587-00-0
2,6-dichloropyridine N-oxide

: 1415388-29-2
C5H4BCl2NO3

Conditions

Conditions	Yield
With (1,5-cyclooctadiene)(methoxy)iridium(I) dimer; bis(pinacol)diborane; 4,4'-di-tert-butyl-2,2'-bipyridine	85%

: 2587-00-0
2,6-dichloropyridine N-oxide

: 6334-55-0
allyl (4-bromophenyl)sulfide

: 536-74-3
phenylacetylene

: 2-(4-bromophenylthio)-1-phenylpent-4-en-1-one

Conditions

Conditions	Yield
With Mor-DaIPhos-AuCl; sodium tetrakis[(3,5-di-trifluoromethyl)phenyl]borate In 1,2-dichloro-ethane at 60℃; for 20h;	77%

...Expand

: 2587-00-0
2,6-dichloropyridine N-oxide

A: 109-09-1
2-chloropyridine

B: 2402-78-0
2,6-dichloropyridine

Conditions

Conditions	Yield
With copper(l) iodide; zinc In ethanol at 55 - 60℃; for 3h;	A n/a B 75%

: 2587-00-0
2,6-dichloropyridine N-oxide

: [(N,N’-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)Ge{CH(SiMe3)2}][(3,5-(CF3)2C6H3)4]

: C32H12BF24(1-)*C39H58Cl2GeN3O2Si2(1+)

Conditions

Conditions	Yield
In fluorobenzene at 20℃; for 0.0833333h; Inert atmosphere;	73%

: 15446-14-7
1-allylsulfanyl-4-chloro-benzene

: 2587-00-0
2,6-dichloropyridine N-oxide

: 536-74-3
phenylacetylene

: 2-(4-chlorophenylthio)-1-phenylpent-4-en-1-one

Conditions

Conditions	Yield
With Mor-DaIPhos-AuCl; sodium tetrakis[(3,5-di-trifluoromethyl)phenyl]borate In 1,2-dichloro-ethane at 60℃; for 8h;	70%

...Expand

: 2587-00-0
2,6-dichloropyridine N-oxide

: 25194-01-8
2,6-dichloro-4-nitro-pyridine

Conditions

Conditions	Yield
Stage #1: 2,6-dichloropyridine N-oxide With sulfuric acid; nitric acid In water at 148 - 156℃; for 1h; Stage #2: With ammonia In water pH=6;	66.4%
Stage #1: 2,6-dichloropyridine N-oxide With sulfuric acid; nitric acid at 148 - 156℃; for 1h; Stage #2: With ammonia In water at 20℃; pH=6;	66.4%
With sulfuric acid; nitric acid for 15h; Heating;	25%
With sulfuric acid; nitric acid at 160℃;

: 2587-00-0
2,6-dichloropyridine N-oxide

: 2-amino-6-chloropyridine N-oxide

Conditions

Conditions	Yield
With ammonia In methanol at 105℃; for 26h;	55%

: 2587-00-0
2,6-dichloropyridine N-oxide

: 1362586-97-7
2-ethyl-7-mercapto-8-methyl-4H-chromen-4-one

: 1362586-28-4
7-(6-chloropyridin-2-ylthio)-2-ethyl-8-methyl-4H-chromen-4-one N-oxide

Conditions

Conditions	Yield
With pyridine at 20℃; for 2h;	53%
With pyridine for 2h; Reflux;	53%

: 2587-00-0
2,6-dichloropyridine N-oxide

: 1337971-33-1
2-ethyl-7-mercapto-4H-chromen-4-one

: 1362586-25-1
7-(6-chloropyridin-2-ylthio)-2-ethyl-4H-chromen-4-one N-oxide

Conditions

Conditions	Yield
With pyridine at 20℃; for 2h;	51%

: 2-(trifluoromethoxy)biphenylyl-2'-diazonium hexafluoroantimonate

: 2587-00-0
2,6-dichloropyridine N-oxide

: N-trifluoromethoxy-2,6-dichloropyridinium hexafluoroantimonate

Conditions

Conditions	Yield
In dichloromethane at 42℃; for 3.5h; Sealed tube; Inert atmosphere;	51%

: 2587-00-0
2,6-dichloropyridine N-oxide

: 137215-27-1
7-mercapto-4-methyl-2H-chromen-2-one

: 1141172-55-5
7-(6-chloropyridin-2-ylthio)-4-methyl-2H-chromen-2-one N-oxide

Conditions

Conditions	Yield
With pyridine at 20℃; for 2h;	48%
With pyridine for 2h; Reflux;	48%

: 2587-00-0
2,6-dichloropyridine N-oxide

: 677-22-5
tert-butylmagnesium chloride

: 2-(tert-butyl)-6-chloropyridine 1-oxide

Conditions

Conditions	Yield
With copper(l) iodide In tetrahydrofuran at 0 - 20℃; Inert atmosphere;	45%

: 2587-00-0
2,6-dichloropyridine N-oxide

: 72917-33-0
2-Chloropyridinyl 6-disulfide

Conditions

Conditions	Yield
With thiourea In ethanol for 2h; Heating;	40%

: 887144-97-0
Togni's reagent

: 2587-00-0
2,6-dichloropyridine N-oxide

: 82113-66-4
trimethylsilyl bis(trifluoromethanesulfonyl)imide

: 2,6-dichloro-N-(trifluoromethoxy)pyridinium triflimide

Conditions

Conditions	Yield
Stage #1: 2,6-dichloropyridine N-oxide; trimethylsilyl bis(trifluoromethanesulfonyl)imide In dichloromethane at 20℃; Schlenk technique; Inert atmosphere; Glovebox; Stage #2: Togni's reagent In dichloromethane at 20℃; for 12h; Schlenk technique; Inert atmosphere; Glovebox;	39%

...Expand

: 2587-00-0
2,6-dichloropyridine N-oxide

: 72647-13-3
2-hydroxylamino-6-chloropyridine 1-oxide

Conditions

Conditions	Yield
With hydroxylamine In ethanol for 144h; Ambient temperature;	24%

: 2587-00-0
2,6-dichloropyridine N-oxide

: 1433221-40-9
C32H50FeN4

: 1433221-44-3
C64H100Fe2N8O

Conditions

Conditions	Yield
In benzene at -78 - 20℃; for 8h; Inert atmosphere;	18%

: 2587-00-0
2,6-dichloropyridine N-oxide

: 75-31-0
isopropylamine

: 59618-29-0
(6-chloro-1-oxy-pyridin-2-yl)-isopropyl-amine

Conditions

Conditions	Yield
In hexane; dimethyl sulfoxide	15.01%

: 110-89-4
piperidine

: 2587-00-0
2,6-dichloropyridine N-oxide

: 59618-35-8
6'-chloro-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl 1'-oxide

Conditions

Conditions	Yield
In hexane; benzene	12.9%

: 2587-00-0
2,6-dichloropyridine N-oxide

: 2039-85-2
3-Chlorostyrene

A: 2402-78-0
2,6-dichloropyridine

B: 20697-04-5, 53631-04-2, 115648-90-3, 62600-71-9
(R)-meta-chlorostyrene oxide

C: 115648-90-3
(S)-3-chlorostyrene oxide

Conditions

Conditions	Yield
chiral ruthenium porphyrin complex catalyst In toluene at -10℃; for 48h; Title compound not separated from byproducts.;

...Expand

: 1073-67-2
4-vinylbenzyl chloride

: 2587-00-0
2,6-dichloropyridine N-oxide

A: 2402-78-0
2,6-dichloropyridine

B: 2788-86-5, 53649-47-1, 97466-49-4, 21019-51-2
(R)-2-(4-chlorophenyl)oxirane

C: 2788-86-5, 21019-51-2, 53649-47-1, 97466-49-4
(2S)-2-(4-chlorophenyl)oxirane

Conditions

Conditions	Yield
chiral ruthenium porphyrin complex catalyst In toluene at -10℃; for 48h; Title compound not separated from byproducts.;

...Expand

: 873-66-5
1-propenylbenzene

: 2587-00-0
2,6-dichloropyridine N-oxide

A: 2402-78-0
2,6-dichloropyridine

B: 4518-66-5
(1S,2S)-(-)-1-phenyl-1-propene oxide

C: 14212-54-5
(+)-(R,R)-β-methylstyrene oxide

Conditions

Conditions	Yield
chiral ruthenium porphyrin complex catalyst In toluene at -10℃; for 48h; Title compound not separated from byproducts.;

...Expand

: 292638-84-7
styrene

: 2587-00-0
2,6-dichloropyridine N-oxide

A: 2402-78-0
2,6-dichloropyridine

B: 20780-53-4
(R)-Styrene oxide

C: 20780-54-5
(S)-styrene oxide

Conditions

Conditions	Yield
chiral ruthenium porphyrin complex catalyst In toluene at -10℃; for 48h; Title compound not separated from byproducts.;

...Expand

: 2587-00-0
2,6-dichloropyridine N-oxide

: 8-chloro-3-deazaadenine

Conditions

Conditions	Yield
Multi-step reaction with 10 steps 1: HNO3; H2SO4 / 160 °C 2: AcOH; Fe / Heating 3: HNO3; H2SO4 / 20 °C 4: H2SO4 / 100 °C 5: 51 percent / Fe / 2 h / Heating 6: aq. NaOH / Heating 7: 96 percent / Ac2O / 4.5 h / Heating 8: 49 percent / ammonia / methanol / 90 h / 160 °C 9: 72 percent / NaOH; H2 / Pd/C / H2O / 20 h / 1758.3 Torr 10: 31 percent / t-butyl hypochlorite / dimethylsulfoxide / 144 h / 20 °C View Scheme
Multi-step reaction with 10 steps 1: HNO3; H2SO4 / 160 °C 2: AcOH; Fe / Heating 3: HNO3; H2SO4 / 20 °C 4: H2SO4 / 100 °C 5: 51 percent / Fe / 2 h / Heating 6: aq. NaOH / Heating 7: 96 percent / Ac2O / 4.5 h / Heating 8: 49 percent / ammonia / methanol / 90 h / 160 °C 9: 72 percent / NaOH; H2 / Pd/C / H2O / 20 h / 1758.3 Torr 10: HCl; mCPBA / N,N-dimethyl-acetamide / 0.42 h / 20 °C View Scheme
Multi-step reaction with 9 steps 1: HNO3; H2SO4 / 160 °C 2: AcOH; Fe / Heating 3: HNO3; H2SO4 / 20 °C 4: H2SO4 / 100 °C 5: 94 percent / Fe; H2O; HCl / ethanol / 16 h / 95 °C 6: 96 percent / Ac2O / 4.5 h / Heating 7: 49 percent / ammonia / methanol / 90 h / 160 °C 8: 72 percent / NaOH; H2 / Pd/C / H2O / 20 h / 1758.3 Torr 9: 31 percent / t-butyl hypochlorite / dimethylsulfoxide / 144 h / 20 °C View Scheme
Multi-step reaction with 9 steps 1: HNO3; H2SO4 / 160 °C 2: AcOH; Fe / Heating 3: HNO3; H2SO4 / 20 °C 4: H2SO4 / 100 °C 5: 94 percent / Fe; H2O; HCl / ethanol / 16 h / 95 °C 6: 96 percent / Ac2O / 4.5 h / Heating 7: 49 percent / ammonia / methanol / 90 h / 160 °C 8: 72 percent / NaOH; H2 / Pd/C / H2O / 20 h / 1758.3 Torr 9: HCl; mCPBA / N,N-dimethyl-acetamide / 0.42 h / 20 °C View Scheme

: 2587-00-0
2,6-dichloropyridine N-oxide

: 3-chloro-3-deazaadenine

Conditions

Conditions	Yield
Multi-step reaction with 10 steps 1: HNO3; H2SO4 / 160 °C 2: AcOH; Fe / Heating 3: HNO3; H2SO4 / 20 °C 4: H2SO4 / 100 °C 5: 51 percent / Fe / 2 h / Heating 6: aq. NaOH / Heating 7: 96 percent / Ac2O / 4.5 h / Heating 8: 49 percent / ammonia / methanol / 90 h / 160 °C 9: 72 percent / NaOH; H2 / Pd/C / H2O / 20 h / 1758.3 Torr 10: 6.2 percent / HCl; mCPBA / N,N-dimethyl-acetamide / 0.42 h / 20 °C View Scheme
Multi-step reaction with 9 steps 1: HNO3; H2SO4 / 160 °C 2: AcOH; Fe / Heating 3: HNO3; H2SO4 / 20 °C 4: H2SO4 / 100 °C 5: 94 percent / Fe; H2O; HCl / ethanol / 16 h / 95 °C 6: 96 percent / Ac2O / 4.5 h / Heating 7: 49 percent / ammonia / methanol / 90 h / 160 °C 8: 72 percent / NaOH; H2 / Pd/C / H2O / 20 h / 1758.3 Torr 9: 6.2 percent / HCl; mCPBA / N,N-dimethyl-acetamide / 0.42 h / 20 °C View Scheme

Yield

Multi-step reaction with 10 steps
1: HNO3; H2SO4 / 160 °C
2: AcOH; Fe / Heating
3: HNO3; H2SO4 / 20 °C
4: H2SO4 / 100 °C
5: 51 percent / Fe / 2 h / Heating
6: aq. NaOH / Heating
7: 96 percent / Ac2O / 4.5 h / Heating
8: 49 percent / ammonia / methanol / 90 h / 160 °C
9: 72 percent / NaOH; H2 / Pd/C / H2O / 20 h / 1758.3 Torr
10: 6.2 percent / HCl; mCPBA / N,N-dimethyl-acetamide / 0.42 h / 20 °C
View Scheme

Multi-step reaction with 9 steps
1: HNO3; H2SO4 / 160 °C
2: AcOH; Fe / Heating
3: HNO3; H2SO4 / 20 °C
4: H2SO4 / 100 °C
5: 94 percent / Fe; H2O; HCl / ethanol / 16 h / 95 °C
6: 96 percent / Ac2O / 4.5 h / Heating
7: 49 percent / ammonia / methanol / 90 h / 160 °C
8: 72 percent / NaOH; H2 / Pd/C / H2O / 20 h / 1758.3 Torr
9: 6.2 percent / HCl; mCPBA / N,N-dimethyl-acetamide / 0.42 h / 20 °C
View Scheme

Pyridine,2,6-dichloro-, 1-oxide Specification

The Pyridine,2,6-dichloro-, 1-oxide, with the CAS registry number 2587-00-0, is also known as 2,6-Dichloropyridine n-oxide. It belongs to the product categories of Categories: Heterocyclic Compounds; Nucleotides and Nucleosides; Bases & Related Reagents; Nucleotides; C5Heterocyclic Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; Pyridines. This chemical's molecular formula is C₅H₃Cl₂NO and molecular weight is 163.99. What's more, its IUPAC name is 2,6-Dichloro-1-oxidopyridin-1-ium and its systematic name is 2,6-Dichloropyridine 1-oxide.

Physical properties about this chemical are: (1)ACD/LogP: 0.00; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 24.11 Å²; (7)Index of Refraction: 1.582; (8)Molar Refractivity: 37.04 cm³; (9)Molar Volume: 110.9 cm³; (10)Polarizability: 14.68×10^-24cm³; (11)Surface Tension: 46.7 dyne/cm; (12)Density: 1.47 g/cm³; (13)Flash Point: 162 °C; (14)Enthalpy of Vaporization: 56.49 kJ/mol; (15)Boiling Point: 344.2 °C at 760 mmHg; (16)Vapour Pressure: 0.000133 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. It is harmful by inhalation, in contact with skin and it is harmful if it is swallowed. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And in case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice. Do not breathe dust.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][n+]1c(Cl)cccc1Cl
(2) InChI: InChI=1/C5H3Cl2NO/c6-4-2-1-3-5(7)8(4)9/h1-3H
(3) InChIKey: RFOMGVDPYLWLOC-UHFFFAOYAM

Product Name

2,6-DICHLOROPYRIDINE N-OXIDE

Synthetic route

Pyridine,2,6-dichloro-, 1-oxide Specification

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