Products Categories
CAS No.: | 939-69-5 |
---|---|
Name: | 2-Cyano-6-hydroxybenzothiazole |
Article Data: | 29 |
Molecular Structure: | |
Formula: | C8H4N2OS |
Molecular Weight: | 176.199 |
Synonyms: | 6-Hydroxy-2-cyanobenzothiazole;6-hydroxybenzo[d]thiazole-2-carbonitrile;6-Hydroxy-2-Benzothiazolecarbonitrile;6-hydroxy-benzothiazole-2-carbonitrile; |
Density: | 1.53 g/cm3 |
Melting Point: | 211-213°C |
Boiling Point: | 374.657 °C at 760 mmHg |
Flash Point: | 180.387 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22-36 |
Safety: | 26-36/37 |
PSA: | 85.15000 |
LogP: | 1.87358 |
Conditions | Yield |
---|---|
With pyridine hydrochloride at 200℃; | 99% |
In methanol; hexane; ethyl acetate | 95% |
With pyridine hydrochloride In sulfolane at 180℃; Sealed tube; Inert atmosphere; | 93% |
2-cyano-6-hydroxybenzothiazole
Conditions | Yield |
---|---|
Stage #1: potassium cyanide With dibenzo-18-crown-6; copper(II) tetrafluroborate hexahydrate; copper(l) cyanide In acetonitrile for 0.25h; Sandmeyer Reaction; Stage #2: With N,N,N,N,-tetramethylethylenediamine In acetonitrile at 25℃; for 0.5h; Sandmeyer Reaction; Stage #3: diazonium tetrafluoroborate salt of 2-amino-6-hydroxybenzothiazole In acetonitrile at 25℃; for 1h; Catalytic behavior; Mechanism; Reagent/catalyst; Time; Sandmeyer Reaction; Sealed tube; Inert atmosphere; | 90% |
6-allyloxybenzothiazole-2-carbonitrile
2-cyano-6-hydroxybenzothiazole
Conditions | Yield |
---|---|
With sodium tetrahydroborate; tetrakis(triphenylphosphine) palladium(0) In tetrahydrofuran at 20℃; for 24h; Inert atmosphere; | 83% |
N-(4-chloro-5H-1,2,3-dithiazol-5-ylidene)-4-methoxyaniline
A
2-cyano-6-hydroxybenzothiazole
B
2-cyano-6-methoxybenzothiazole
Conditions | Yield |
---|---|
With pyridine hydrochloride In sulfolane at 180℃; for 1h; | A 61% B 20% |
4-methoxy-aniline
4,5-dichloro-1,2,3-dithiazolium chloride
A
2-cyano-6-hydroxybenzothiazole
B
2-cyano-6-methoxybenzothiazole
Conditions | Yield |
---|---|
Stage #1: 4-methoxy-aniline; 4,5-dichloro-1,2,3-dithiazolium chloride In sulfolane at 40 - 180℃; for 3.33333h; Sealed tube; Inert atmosphere; Stage #2: With pyridine hydrochloride In sulfolane at 180℃; for 1h; Sealed tube; Inert atmosphere; | A 51% B 21% |
Conditions | Yield |
---|---|
With trimethylsilyl iodide In diethyl ether; chloroform; dimethyl sulfoxide | 42% |
6-ethoxy-benzothiazole-2-carbonitrile
2-cyano-6-hydroxybenzothiazole
Conditions | Yield |
---|---|
With pyridine hydrochloride at 185 - 195℃; for 2h; |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 1.) AcOH, aq. H2SO4, aq. NaNO2, 2.) NaHCO3 / 1.) 1 h, 2.) water, 30 min 2: 81 percent / pyridinium chloride / 0.75 h / 200 °C View Scheme | |
Multi-step reaction with 2 steps 1: sodium nitrite / copper(I) chloride / hydrogenchloride; methanol; formic acid; (2S)-N-methyl-1-phenylpropan-2-amine hydrate; water; acetic acid; ethyl acetate 2: trimethylsilyl iodide / diethyl ether; chloroform; dimethyl sulfoxide View Scheme |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: dimethylsulfoxide / 2.5 h / 125 °C 2: Py*HCl / 2 h / 185 - 195 °C View Scheme |
ethyl 4'-methoxyoxanilate
2-cyano-6-hydroxybenzothiazole
Conditions | Yield |
---|---|
Multi-step reaction with 5 steps 1: (i) P2S5, xylene, (ii) K3, aq. NaOH 2: HCl 3: NH3 / methanol 4: POCl3 5: Py*HCl / 200 °C View Scheme | |
Multi-step reaction with 5 steps 1: (i) P2S5, xylene, (ii) K3, aq. NaOH 2: methanol; diethyl ether 3: NH3 / methanol 4: POCl3 5: Py*HCl / 200 °C View Scheme |
What can I do for you?
Get Best Price
Molecular Structure of 2-Cyano-6-hydroxybenzothiazole (CAS NO.939-69-5):
Empirical Formula: C8H4N2OS
Molecular Weight: 176.1952
H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 1
Polar Surface Area: 85.15 Å2
Molar Refractivity: 46.346 cm3
Molar Volume: 114.427 cm3
Surface Tension: 91.151 dyne/cm
Density: 1.54 g/cm3
Flash Point: 180.387 °C
Enthalpy of Vaporization: 64.648 kJ/mol
Boiling Point: 374.657 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C
Index of Refraction: 1.744
Product Categories: Benzothiazole; Sulphur Derivatives
SMILES: N#Cc1nc2ccc(O)cc2s1
InChI: InChI=1/C8H4N2OS/c9-4-8-10-6-2-1-5(11)3-7(6)12-8/h1-3,11H
2-Cyano-6-hydroxybenzothiazole , with CAS number of 939-69-5, can be called 6-Hydroxy-1,3-benzothiazole-2-carbonitrile ; 2-benzothiazolecarbonitrile, 6-hydroxy- ; 6-hydroxybenzo[d]thiazole-2-carbonitrile ; 6-Hydroxy-2-cyanobenzothiazole ; 6-Hydroxy-2-Benzothiazolecarbonitrile ; 6-hydroxy-benzothiazole-2-carbonitrile .