2-Cyano-6-hydroxybenzothiazole supplier

Name
2-Cyano-6-hydroxybenzothiazole
EINECS
CAS No. 939-69-5
Article Data29
CAS DataBase
Density 1.53 g/cm³
Solubility
Melting Point 211-213°C
Formula C₈H₄N₂OS
Boiling Point 374.657 °C at 760 mmHg
Molecular Weight 176.199
Flash Point 180.387 °C
Transport Information
Appearance
Safety 26-36/37
Risk Codes 22-36
Molecular Structure
Hazard Symbols Xn
Synonyms 6-Hydroxy-2-cyanobenzothiazole;6-hydroxybenzo[d]thiazole-2-carbonitrile;6-Hydroxy-2-Benzothiazolecarbonitrile;6-hydroxy-benzothiazole-2-carbonitrile;
PSA 85.15000
LogP 1.87358

Synthetic route

: 943-03-3
2-cyano-6-methoxybenzothiazole

: 939-69-5
2-cyano-6-hydroxybenzothiazole

Conditions

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%

: potassium cyanide

: diazonium tetrafluoroborate salt of 2-amino-6-hydroxybenzothiazole

: 939-69-5
2-cyano-6-hydroxybenzothiazole

Conditions

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%

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%

: 1198094-60-8
6-allyloxybenzothiazole-2-carbonitrile

: 939-69-5
2-cyano-6-hydroxybenzothiazole

Conditions

Conditions	Yield
With sodium tetrahydroborate; tetrakis(triphenylphosphine) palladium(0) In tetrahydrofuran at 20℃; for 24h; Inert atmosphere;	83%

: 75318-49-9
N-(4-chloro-5H-1,2,3-dithiazol-5-ylidene)-4-methoxyaniline

A: 939-69-5
2-cyano-6-hydroxybenzothiazole

B: 943-03-3
2-cyano-6-methoxybenzothiazole

Conditions

Conditions	Yield
With pyridine hydrochloride In sulfolane at 180℃; for 1h;	A 61% B 20%

: 104-94-9
4-methoxy-aniline

: 75318-43-3
4,5-dichloro-1,2,3-dithiazolium chloride

A: 939-69-5
2-cyano-6-hydroxybenzothiazole

B: 943-03-3
2-cyano-6-methoxybenzothiazole

Conditions

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%

...Expand

: 2605-14-3
2-chloro-6-(methyloxy)-1,3-benzothiazole

diisopropyl ether-tetrahydrofuran: diisopropyl ether-tetrahydrofuran

: 939-69-5
2-cyano-6-hydroxybenzothiazole

Conditions

Conditions	Yield
With trimethylsilyl iodide In diethyl ether; chloroform; dimethyl sulfoxide	42%

: 91634-13-8
6-ethoxy-benzothiazole-2-carbonitrile

: 939-69-5
2-cyano-6-hydroxybenzothiazole

Conditions

Conditions	Yield
With pyridine hydrochloride at 185 - 195℃; for 2h;

: 1747-60-0
6-methoxybenzothiazol-2-ylamine

: 939-69-5
2-cyano-6-hydroxybenzothiazole

Conditions

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

: 452-35-7
6-ethoxybenzothiazole-2-sulfonamide

: 939-69-5
2-cyano-6-hydroxybenzothiazole

Conditions

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

: 18522-99-1
ethyl 4'-methoxyoxanilate

: 939-69-5
2-cyano-6-hydroxybenzothiazole

Conditions

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

: 946-12-3
6-methoxybenzothiazole-2-carboxamide

: 939-69-5
2-cyano-6-hydroxybenzothiazole

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: POCl3 2: Py*HCl / 200 °C View Scheme

: 946-13-4
6-methoxybenzo[d]thiazol-2-carboxylic acid

: 939-69-5
2-cyano-6-hydroxybenzothiazole

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: HCl 2: NH3 / methanol 3: POCl3 4: Py*HCl / 200 °C View Scheme
Multi-step reaction with 4 steps 1: methanol; diethyl ether 2: NH3 / methanol 3: POCl3 4: Py*HCl / 200 °C View Scheme

: 884-22-0
6-methoxy-benzothiazole-2-carboxylic acid methyl ester

: 939-69-5
2-cyano-6-hydroxybenzothiazole

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: NH3 / methanol 2: POCl3 3: Py*HCl / 200 °C View Scheme

: 4968-41-6
(4-methoxyphenyl)carbamothioyl cyanide

: 939-69-5
2-cyano-6-hydroxybenzothiazole

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: copper(l) iodide; tetrabutylammomium bromide; palladium dichloride / dimethyl sulfoxide; N,N-dimethyl-formamide / 3 h / 120 °C / Inert atmosphere 2: pyridine hydrochloride / 1 h / 180 °C / Neat (no solvent); Inert atmosphere View Scheme
Multi-step reaction with 2 steps 1: palladium dichloride; copper(l) iodide; tetrabutylammomium bromide / N,N-dimethyl-formamide; dimethyl sulfoxide / 2 h / 120 °C 2: pyridine hydrochloride / sulfolane / 180 °C / Sealed tube; Inert atmosphere View Scheme
Multi-step reaction with 2 steps 1: palladium dichloride; copper(l) iodide; tetrabutylammomium bromide / Inert atmosphere 2: pyridine hydrochloride / Inert atmosphere View Scheme

: 104-94-9
4-methoxy-aniline

: 939-69-5
2-cyano-6-hydroxybenzothiazole

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1.1: dichloromethane / 1 h / 20 °C / Inert atmosphere 1.2: 20 °C / Inert atmosphere 2.1: 1,8-diazabicyclo[5.4.0]undec-7-ene / dichloromethane / -5 °C 3.1: copper(l) iodide; tetrabutylammomium bromide; palladium dichloride / dimethyl sulfoxide; N,N-dimethyl-formamide / 3 h / 120 °C / Inert atmosphere 4.1: pyridine hydrochloride / 1 h / 180 °C / Neat (no solvent); Inert atmosphere View Scheme
Multi-step reaction with 2 steps 1.1: sulfolane / 3.33 h / 40 - 180 °C / Sealed tube; Inert atmosphere 1.2: 1 h / 180 °C / Sealed tube; Inert atmosphere 2.1: pyridine hydrochloride / sulfolane / 180 °C / Sealed tube; Inert atmosphere View Scheme
Multi-step reaction with 2 steps 1: dichloromethane / 3 h / 20 °C / Inert atmosphere 2: pyridine hydrochloride / sulfolane / 1 h / 180 °C View Scheme
Multi-step reaction with 3 steps 1.1: acetonitrile; tetrahydrofuran / 1 h / Inert atmosphere 1.2: 3 h / 20 °C / Inert atmosphere 2.1: palladium dichloride; copper(l) iodide; tetrabutylammomium bromide / N,N-dimethyl-formamide; dimethyl sulfoxide / 2 h / 120 °C 3.1: pyridine hydrochloride / sulfolane / 180 °C / Sealed tube; Inert atmosphere View Scheme
Multi-step reaction with 3 steps 1: dichloromethane / 3 h / 20 °C / Inert atmosphere 2: pyridine hydrochloride / sulfolane / 1 h / 180 °C 3: pyridine hydrochloride / sulfolane / 180 °C / Sealed tube; Inert atmosphere View Scheme

: 75318-49-9
N-(4-chloro-5H-1,2,3-dithiazol-5-ylidene)-4-methoxyaniline

: 939-69-5
2-cyano-6-hydroxybenzothiazole

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 1,8-diazabicyclo[5.4.0]undec-7-ene / dichloromethane / -5 °C 2: copper(l) iodide; tetrabutylammomium bromide; palladium dichloride / dimethyl sulfoxide; N,N-dimethyl-formamide / 3 h / 120 °C / Inert atmosphere 3: pyridine hydrochloride / 1 h / 180 °C / Neat (no solvent); Inert atmosphere View Scheme
Multi-step reaction with 2 steps 1: pyridine hydrochloride / sulfolane / 1 h / 180 °C 2: pyridine hydrochloride / sulfolane / 180 °C / Sealed tube; Inert atmosphere View Scheme
Multi-step reaction with 3 steps 1: 1,8-diazabicyclo[5.4.0]undec-7-ene / Inert atmosphere 2: palladium dichloride; copper(l) iodide; tetrabutylammomium bromide / Inert atmosphere 3: pyridine hydrochloride / Inert atmosphere View Scheme

: 1421277-81-7
(4-(((2-cyanobenzo[d]thiazol-6-yl)oxy)methyl)phenyl)boronic acid

: 939-69-5
2-cyano-6-hydroxybenzothiazole

Conditions

Conditions	Yield
With dihydrogen peroxide In aq. buffer Kinetics;

: 106-51-4
p-benzoquinone

: 939-69-5
2-cyano-6-hydroxybenzothiazole

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1.1: hydrogenchloride / ethanol; water / 0.5 h 1.2: 24 h / 25 °C 2.1: sodium acetate / water 3.1: tetrafluoroboric acid; sodium nitrite / water / 1 h / 0 °C 4.1: dibenzo-18-crown-6; copper(II) tetrafluroborate hexahydrate; copper(l) cyanide / acetonitrile / 0.25 h 4.2: 0.5 h / 25 °C 4.3: 1 h / 25 °C / Sealed tube; Inert atmosphere View Scheme

: 26278-78-4
2-amino-6-hydroxybenzothiazole hydrochloride salt

: 939-69-5
2-cyano-6-hydroxybenzothiazole

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: sodium acetate / water 2.1: tetrafluoroboric acid; sodium nitrite / water / 1 h / 0 °C 3.1: dibenzo-18-crown-6; copper(II) tetrafluroborate hexahydrate; copper(l) cyanide / acetonitrile / 0.25 h 3.2: 0.5 h / 25 °C 3.3: 1 h / 25 °C / Sealed tube; Inert atmosphere View Scheme

: 110-91-8
morpholine

: 50-00-0
formaldehyd

: 939-69-5
2-cyano-6-hydroxybenzothiazole

: 6-hydroxy-7-[(morpholin-4-yl)methyl]-1,3-benzothiazole-2-carbonitrile

Conditions

Conditions	Yield
Stage #1: morpholine; formaldehyd In acetonitrile at 80℃; for 1h; Stage #2: 2-cyano-6-hydroxybenzothiazole In acetonitrile at 80℃;	98%

...Expand

: 106-95-6
allyl bromide

: 939-69-5
2-cyano-6-hydroxybenzothiazole

: 1198094-60-8
6-allyloxybenzothiazole-2-carbonitrile

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 20h; Inert atmosphere;	96%
With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 1h; Inert atmosphere;	90%
Stage #1: 2-cyano-6-hydroxybenzothiazole With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 0.25h; Williamson Ether Synthesis; Stage #2: allyl bromide In N,N-dimethyl-formamide at 70℃;	82%

: 921-01-7
D-cysteine

: 939-69-5
2-cyano-6-hydroxybenzothiazole

: 2591-17-5
D-luciferin

Conditions

Conditions	Yield
In water at 20℃;	95%
With ammonia; sodium In methanol; water	94%
Stage #1: D-cysteine; 2-cyano-6-hydroxybenzothiazole In aq. buffer for 1h; Stage #2: With ATP; magnesium chloride; zinc(II) chloride; luciferase In aq. buffer	27%

: 50-00-0
formaldehyd

: 939-69-5
2-cyano-6-hydroxybenzothiazole

: 53617-35-9
4-(piperidin-4-yl)morpholine

: 6-hydroxy-7-[[4-(morpholin-4-yl)piperidin-1-yl]methyl]-1,3-benzothiazole-2-carbonitrile

Conditions

Conditions	Yield
Stage #1: formaldehyd; 4-(piperidin-4-yl)morpholine In acetonitrile at 80℃; for 1h; Stage #2: 2-cyano-6-hydroxybenzothiazole In acetonitrile at 80℃;	95%

...Expand

: 814-68-6
acryloyl chloride

: 939-69-5
2-cyano-6-hydroxybenzothiazole

: C11H6N2O2S

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 20℃; for 5h; Cooling with ice;	94.8%

: 10487-71-5
crotonyl chloride

: 939-69-5
2-cyano-6-hydroxybenzothiazole

: 2-cyanobenzo[d]thiazol-6-yl but-2-enoate

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 20℃; for 5h; Cooling with ice;	94.7%
With triethylamine In dichloromethane at 20℃; for 1h;	94.7%

: 69642-00-8
α-methyl-o-nitrobenzyl bromide

: 939-69-5
2-cyano-6-hydroxybenzothiazole

: 1186015-39-3
2-cyano-6-(1-(2-nitrophenyl)ethoxy)benzothiazole

Conditions

Conditions	Yield
With potassium carbonate In acetone Reflux;	94.5%

: 68162-47-0
4-bromomethylphenylboronic acid

: 939-69-5
2-cyano-6-hydroxybenzothiazole

: 1421277-81-7
(4-(((2-cyanobenzo[d]thiazol-6-yl)oxy)methyl)phenyl)boronic acid

Conditions

Conditions	Yield
With caesium carbonate In N,N-dimethyl-formamide at 60℃;	94%

: 59016-93-2
p-hydroxymethylphenylboronic acid

: 939-69-5
2-cyano-6-hydroxybenzothiazole

: 1421277-81-7
(4-(((2-cyanobenzo[d]thiazol-6-yl)oxy)methyl)phenyl)boronic acid

Conditions

Conditions	Yield
With caesium carbonate In N,N-dimethyl-formamide at 60℃;	94%

: 67-56-1
methanol

: 939-69-5
2-cyano-6-hydroxybenzothiazole

: 129058-56-6
methyl 6-hydroxybenzo[d]thiazole-2-carboxylate

Conditions

Conditions	Yield
With potassium carbonate	94%
With potassium carbonate at 20℃; for 24h;	94%

: t-butyl (S)-2-((t-butoxycarbonyl)amino)-5-((4-(hydroxymethyl)phenyl)amino)-5-oxopentanoate

: 939-69-5
2-cyano-6-hydroxybenzothiazole

: C29H34N4O6S

Conditions

Conditions	Yield
Stage #1: t-butyl (S)-2-((t-butoxycarbonyl)amino)-5-((4-(hydroxymethyl)phenyl)amino)-5-oxopentanoate With triethylamine; p-toluenesulfonyl chloride In dichloromethane at 0℃; for 2.5h; Inert atmosphere; Stage #2: 2-cyano-6-hydroxybenzothiazole With potassium carbonate; sodium iodide In acetonitrile at 85℃; for 5h; Inert atmosphere;	92%

: 50-00-0
formaldehyd

: 124-40-3
dimethyl amine

: 939-69-5
2-cyano-6-hydroxybenzothiazole

: 7-[(dimethylamino)methyl]-6-hydroxy-1,3-benzothiazole-2-carbonitrile

Conditions

Conditions	Yield
Stage #1: formaldehyd; dimethyl amine In acetonitrile at 80℃; for 1h; Stage #2: 2-cyano-6-hydroxybenzothiazole In acetonitrile at 80℃;	91%

...Expand

: 106-96-7
propargyl bromide

: 939-69-5
2-cyano-6-hydroxybenzothiazole

: 1429468-55-2
6-(prop-2-ynyloxy)benzo[d]thiazole-2-carbonitrile

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile at 20℃;	91%

: 3958-60-9
2-nitrophenylmethyl bromide

: 939-69-5
2-cyano-6-hydroxybenzothiazole

: 1186015-37-1
2-cyano-6-(2-nitrobenzyloxy)benzothiazole

Conditions

Conditions	Yield
With potassium carbonate In acetone for 1h; Reflux;	90%

: 7703-74-4
2,6-bis-(bromomethyl)pyridine

: 939-69-5
2-cyano-6-hydroxybenzothiazole

: 6-((6-(bromomethyl)pyridin-2-yl)methoxy)benzo[d]thiazole-2-carbonitrile

Conditions

Conditions	Yield
With caesium carbonate In tetrahydrofuran at 50℃;	89%
With caesium carbonate In tetrahydrofuran at 50℃; for 16h;	69%

: 53413-67-5
6-nitroveratrylbromide

: 939-69-5
2-cyano-6-hydroxybenzothiazole

: 1186015-38-2
2-cyano-6-(4,5-dimethoxy-2-nitrobenzyloxy)benzothiazole

Conditions

Conditions	Yield
With potassium carbonate In acetone Reflux;	88.6%

: 1072106-27-4
2-(trimethylsilyl)ethyl 4-(1-bromoethyl)-3-nitrobenzoate

: 939-69-5
2-cyano-6-hydroxybenzothiazole

: 1379604-39-3
2-(trimethylsilyl)ethyl-4-(1-(2-cyanobenzo[d]thiazol-6-yloxy)ethyl)-3-nitrobenzoate

Conditions

Conditions	Yield
With potassium carbonate In acetone for 2h; Reflux;	88%

: 123-76-2
levulinic acid

: 939-69-5
2-cyano-6-hydroxybenzothiazole

: 2-cyanobenzo[d]thiazol-6-yl 4-oxopentanoate

Conditions

Conditions	Yield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 0℃; for 2h;	87.3%
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In dichloromethane at 20℃; for 2h;	67.3%

: 142-61-0
Hexanoyl chloride

: 939-69-5
2-cyano-6-hydroxybenzothiazole

: 2-cyano-6-(hexanoyloxy)benzothiazole

Conditions

Conditions	Yield
With pyridine In dichloromethane for 0.333333h; Ambient temperature;	87%

: 939-69-5
2-cyano-6-hydroxybenzothiazole

: 1609122-28-2
2-(1H-tetrazol-5-yl)benzo[d]thiazol-6-ol

Conditions

Conditions	Yield
With sodium azide; water; zinc(II) chloride at 25℃; for 24h; Micellar solution;	87%
With sodium azide; zinc(II) chloride In water at 25℃; for 24h;	87%

: 32443-99-5
D-cysteine hydrochloride

: 939-69-5
2-cyano-6-hydroxybenzothiazole

: 2591-17-5
D-luciferin

Conditions

Conditions	Yield
With potassium carbonate In methanol; water for 0.333333h; Inert atmosphere;	86%
With potassium carbonate In water; acetonitrile at 20℃; for 0.333333h;	86%
With potassium carbonate In methanol; water for 0.0833333h; Yield given;
With potassium carbonate In methanol for 8h; Concentration; Reagent/catalyst; Inert atmosphere;	22.76g

: 939-69-5
2-cyano-6-hydroxybenzothiazole

: 112-67-4
n-hexadecanoyl chloride

: 2-cyano-6-(palmitoyloxy)benzothiazole

Conditions

Conditions	Yield
With pyridine In dichloromethane for 0.333333h; Ambient temperature;	86%

: 5407-04-5
3-(dimethylamino)propyl chloride hydrochloride

: 939-69-5
2-cyano-6-hydroxybenzothiazole

: 6-(3-dimethylaminopropoxy)-2-cyanobenzothiazole

Conditions

Conditions	Yield
With potassium carbonate; sodium iodide In acetone Heating;	86%
With potassium carbonate; sodium iodide In acetone Reflux;	86%

: 59483-84-0
bis(pentafluorophenyl)carbonate

: N-[(CH2)3-COO-t-Bu]-N’-Boc-N’-methyl-ethylenediamine

: 939-69-5
2-cyano-6-hydroxybenzothiazole

: N-[(CH2)3COO-t-Bu]-N’-Boc-N’-methyl-ethylenediamine 6-hydroxybenzo[d]thiazole-2-carbonitrilecarbamate

Conditions

Conditions	Yield
Stage #1: bis(pentafluorophenyl)carbonate; 2-cyano-6-hydroxybenzothiazole With triethylamine In tetrahydrofuran at 20℃; for 0.5h; Inert atmosphere; Stage #2: N-[(CH2)3-COO-t-Bu]-N’-Boc-N’-methyl-ethylenediamine In tetrahydrofuran at 20℃; for 2h;	86%

...Expand

: 5292-43-3
bromoacetic acid tert-butyl ester

: 939-69-5
2-cyano-6-hydroxybenzothiazole

: tert-butyl 2-((2-cyanobenzo[d]thiazol-6-yl)oxy)acetate

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 100℃;	86%
With potassium carbonate; sodium iodide In acetone Reflux;	78%

: 52-89-1
l-cysteine hydrochloride

: 939-69-5
2-cyano-6-hydroxybenzothiazole

: 2591-17-5
D-luciferin

Conditions

Conditions	Yield
Stage #1: l-cysteine hydrochloride; 2-cyano-6-hydroxybenzothiazole In methanol; water at 20℃; for 0.0833333h; Inert atmosphere; Stage #2: With potassium carbonate In methanol; water at 20℃; for 0.333333h; Inert atmosphere;	86%
With potassium carbonate In methanol; dichloromethane; water for 0.166667h; Cooling with ice;	80%

: 21320-90-1
5-nitro-2-toluenesulfonyl chloride

: 939-69-5
2-cyano-6-hydroxybenzothiazole

: 2-cyanobenzothiazol-6-yl 2-methyl-4-nitrobenzenesulfonate

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 20℃; for 3h;	85%
With triethylamine In dichloromethane at 20℃; for 3h;	85%

: 173908-60-6
2-nitro-5-methylbenzenesulfonyl chloride

: 939-69-5
2-cyano-6-hydroxybenzothiazole

: 918400-80-3
2-cyanobenzothiazol-6-yl 2-nitro-5-methylbenzenesulfonate

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 20℃; for 3h;	85%

2-Cyano-6-hydroxybenzothiazole Chemical Properties

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 Specification

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 .

Product Name

2-Cyano-6-hydroxybenzothiazole

Synthetic route

2-Cyano-6-hydroxybenzothiazole Chemical Properties

2-Cyano-6-hydroxybenzothiazole Specification

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