Benzimidazole supplier | CasNO.51-17-2

Name
Benzimidazole
EINECS 200-081-4
CAS No. 51-17-2
Article Data399
CAS DataBase
Density 1.242 g/cm³
Solubility sparingly soluble in water
Melting Point 169-171 °C(lit.)
Formula C₇H₆N₂
Boiling Point 360 °C at 760 mmHg
Molecular Weight 118.138
Flash Point 208.439 °C
Transport Information
Appearance white crystal
Safety 37/39-26
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Benzimidazole(6CI,8CI);1,3-Benzodiazole;1,3-Diazaindene;3-Azaindole;Azindole;BZI;N,N'-Methenyl-o-phenylenediamine;NSC 759;1H-Benzimidazole;
PSA 28.68000
LogP 1.56290

Synthetic route

: 106157-75-9
3-amino-3-(o-aminoanilino)-2-cyano-2-propenal phenylhydrazone

A: 51-17-2
benzoimidazole

B: 5334-43-0
5-Amino-4-cyano-1-phenylpyrazole

Conditions

Conditions	Yield
With orthoformic acid triethyl ester In butan-1-ol for 4h; Heating;	A 100% B 100%

: 106157-75-9
3-amino-3-(o-aminoanilino)-2-cyano-2-propenal phenylhydrazone

: 122-51-0
orthoformic acid triethyl ester

A: 51-17-2
benzoimidazole

B: 5334-43-0
5-Amino-4-cyano-1-phenylpyrazole

Conditions

Conditions	Yield
In butan-1-ol for 4h; Heating;	A 100% B 100%

...Expand

: 122-51-0
orthoformic acid triethyl ester

: 95-54-5
1,2-diamino-benzene

: 51-17-2
benzoimidazole

Conditions

Conditions	Yield
Stage #1: orthoformic acid triethyl ester at 20℃; for 0.25h; Stage #2: 1,2-diamino-benzene at 20℃; for 3h;	100%
With aminosulfonic acid In methanol at 20℃; for 1h;	98%
iodine In acetonitrile at 20℃; for 0.25h;	98%

: 34840-28-3
N-(2-aminophenyl)formamide

: 51-17-2
benzoimidazole

Conditions

Conditions	Yield
With boron tribromide In dimethyl sulfoxide at 70℃; for 5h; Reagent/catalyst; Temperature; Schlenk technique; Inert atmosphere;	100%

: tert-butyl 1H-benzo[d]imidazole-1-carboxylate

: 51-17-2
benzoimidazole

Conditions

Conditions	Yield
With water at 100℃; for 0.166667h;	99%
With zinc dibromide In dichloromethane for 4h; Ambient temperature;	90%
With 3-butyl-l-methyl-1H-imidazol-3-iumtrifloroacetate In 1,4-dioxane; water at 70 - 72℃; for 4h;	65%

: 68-12-2, 33513-42-7
N,N-dimethyl-formamide

: 95-54-5
1,2-diamino-benzene

: 51-17-2
benzoimidazole

Conditions

Conditions	Yield
With {[Zn(3,5-bis(4-oxo-4H-pyridin-1-yl)benzoate)Cl]*5H2O}n at 120℃; under 760.051 Torr; for 48h;	99%
With carbon dioxide In water at 150℃; under 37503.8 Torr; for 5h;	97.5%
With 1,1,1,3,3,3-hexamethyl-disilazane at 120℃; for 12h; Catalytic behavior; Reagent/catalyst; Temperature; Time; Green chemistry;	97%

: 4981-92-4
1-benzylbenzimidazole

: 51-17-2
benzoimidazole

Conditions

Conditions	Yield
With triethylsilane; palladium 10% on activated carbon In tetrahydrofuran at 20℃; for 14h; Reagent/catalyst; Solvent; Inert atmosphere;	99%
With potassium tert-butylate; oxygen; dimethyl sulfoxide at 25℃; for 0.166667h;	92%

: 64-18-6
formic acid

: 88-74-4
2-nitro-aniline

: 51-17-2
benzoimidazole

Conditions

Conditions	Yield
With tin(ll) chloride at 130℃; for 0.0833333h; microwave;	99%
With iron; ammonium chloride In isopropyl alcohol at 80℃; for 1h;	97%
With palladium 10% on activated carbon; triethylamine at 150℃; for 0.0833333h; Microwave irradiation;	95%
With palladium 10% on activated carbon; triethylamine at 150℃; for 0.133333h; Microwave irradiation;	95%
With hydrogenchloride; iron In water at 70 - 100℃;

: 7152-24-1
2-methylsulfanylbenzimidazole

: 51-17-2
benzoimidazole

Conditions

Conditions	Yield
With triethylsilane; palladium 10% on activated carbon In tetrahydrofuran at 0 - 20℃; for 24.5h; chemoselective reaction;	99%

: 124-38-9
carbon dioxide

: 95-54-5
1,2-diamino-benzene

: 51-17-2
benzoimidazole

Conditions

Conditions	Yield
With diphenylsilane; C33H36BO6(3-)Eu(3+)H2O*2C3H7NO In acetonitrile at 120℃; under 7500.75 Torr; for 24h; Catalytic behavior; Reagent/catalyst; Temperature; Solvent; Time; Autoclave;	99%
With dimethylamine borane; potassium carbonate In ethanol; water under 15001.5 Torr; for 18h; Catalytic behavior; Autoclave;	96%
With tris(2-diphenylphosphinoethyl)phosphine; hydrogen; cobalt(II) fuoride; cesium fluoride In ethanol at 140℃; under 45004.5 Torr; for 24h; Mechanism; Reagent/catalyst; Glovebox; Autoclave;	94%

: 618-39-3
benzamidin

: 51-17-2
benzoimidazole

Conditions

Conditions	Yield
With caesium carbonate In water at 50℃; for 0.166667h; Microwave irradiation;	99%

: 144-62-7
oxalic acid

: 95-54-5
1,2-diamino-benzene

: 51-17-2
benzoimidazole

Conditions

Conditions	Yield
In 1,4-dioxane at 120℃; for 6h; Mechanism; Solvent; Temperature; Time; Green chemistry;	98%

: 64-18-6
formic acid

: 95-54-5
1,2-diamino-benzene

: 149-73-5
trimethyl orthoformate

: 51-17-2
benzoimidazole

Conditions

Conditions	Yield
at 120℃; for 1h; Microwave irradiation;	98%

...Expand

: 64-18-6
formic acid

: 95-54-5
1,2-diamino-benzene

: 51-17-2
benzoimidazole

Conditions

Conditions	Yield
With zinc(II) oxide In water at 70℃; for 0.1h;	97%
With zinc(II) oxide In water at 70℃; for 0.1h; Green chemistry; chemoselective reaction;	97%
for 8h; Reflux;	94%

: 67-56-1
methanol

: 95-54-5
1,2-diamino-benzene

: 51-17-2
benzoimidazole

Conditions

Conditions	Yield
With potassium tert-butylate In 1,4-dioxane at 130℃; for 48h; Autoclave;	97%
With sodium t-butanolate In water at 75℃; for 16h; Green chemistry;	66%

: 64-18-6
formic acid

: 528-29-0
1,2-Dinitrobenzene

: 51-17-2
benzoimidazole

Conditions

Conditions	Yield
With gold nano particles supported on rutile TiO2 In toluene at 70℃; under 750.075 Torr; for 6h; Inert atmosphere; chemoselective reaction;	97%
With palladium particles distributed over the surface of fibrous silica nanospheres modified via aminopropyltriethoxysilane In tetrahydrofuran at 70℃; for 3h;	96 %Chromat.

: 67-56-1
methanol

: 88-74-4
2-nitro-aniline

: 51-17-2
benzoimidazole

Conditions

Conditions	Yield
With palladium with copper supported on alumina In water at 179.84℃; under 26252.6 Torr; for 12h; Autoclave;	96.5%
With TiO2-P25 nanoparticles for 3h; UV-irradiation;	10 %Spectr.
In water at 150℃; under 26252.6 Torr; Inert atmosphere;

: 95-54-5
1,2-diamino-benzene

: 149-73-5
trimethyl orthoformate

: 51-17-2
benzoimidazole

Conditions

Conditions	Yield
With aminosulfonic acid In methanol at 20℃; for 1h;	96%
With 1,1,1,3',3',3'-hexafluoro-propanol at 20℃; for 2h; chemoselective reaction;	95%
With 1-(propyl-3-sulfonate) 3-methylimidazol(3H)-1-ium phosphotungstate In water at 20℃; for 0.35h; Reagent/catalyst; Time; Solvent;	94%

: 77287-34-4, 77287-35-5, 60100-09-6
formamide

: 95-54-5
1,2-diamino-benzene

: 51-17-2
benzoimidazole

Conditions

Conditions	Yield
With hydrogenchloride In water at 150℃; for 0.0333333h; Microwave irradiation;	96%
With chitosan In neat (no solvent) at 150℃; for 36h; Sealed tube;	61%

: 15728-44-6
1-(4-methyl-benzenesulfonyl)-benzimidazole

: 51-17-2
benzoimidazole

Conditions

Conditions	Yield
With sodium hydride In N,N-dimethyl acetamide at 60℃; for 3h; Inert atmosphere;	95%
With tetraethylammonium perchlorate; triethylamine In dimethyl sulfoxide at 20℃; for 8h; Electrolysis; Green chemistry;	90%
With formic acid; (4,4'-di-tert-butyl-2,2'-dipyridyl)-bis-(2-phenylpyridine(-1H))-iridium(III) hexafluorophosphate; N-ethyl-N,N-diisopropylamine In acetonitrile at 20℃; for 24h; Inert atmosphere; Sealed tube; Irradiation;	70%
With cetyltrimethylammonim bromide; potassium hydroxide In tetrahydrofuran; water at 20℃; for 4h; Green chemistry;
With 3,6‐di‐tert‐butyl‐9‐mesityl‐10‐phenylacridin‐10‐ium tetrafluoroborate; N-ethyl-N,N-diisopropylamine In water; acetonitrile for 20h; Irradiation;	96 %Spectr.

: 615-28-1
o-phenylenediamine dihydrochloride

: 109-94-4
formic acid ethyl ester

: 51-17-2
benzoimidazole

Conditions

Conditions	Yield
In ethylene glycol for 0.025h; microwave irradiation;	94%

: 88-74-4
2-nitro-aniline

: 122-51-0
orthoformic acid triethyl ester

: 51-17-2
benzoimidazole

Conditions

Conditions	Yield
With iron; ytterbium(III) triflate at 75℃; for 3h;	94%
With 10% Pd/C; hydrogen; acetic acid In methanol at 20℃; under 760.051 Torr;	93%

: 124-38-9
carbon dioxide

: 88-74-4
2-nitro-aniline

: 51-17-2
benzoimidazole

Conditions

Conditions	Yield
With palladium 10% on activated carbon; phenylsilane; 1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine In acetonitrile at 70℃; under 7500.75 Torr; for 15h; Catalytic behavior; Solvent; Reagent/catalyst; Temperature; Time; Pressure;	94%
With dimethylamine borane; potassium carbonate In ethanol; water under 15001.5 Torr; for 18h; Catalytic behavior; Autoclave;	90%
With gold on titanium oxide; hydrogen In 1-methyl-pyrrolidin-2-one at 99.84℃; under 60006 Torr; for 12h; Sealed tube; Green chemistry;	85%

: 134469-07-1
Benzimidazol-2-thiol

: 51-17-2
benzoimidazole

Conditions

Conditions	Yield
With rose bengal; water; oxygen; sodium chloride In N,N-dimethyl-formamide at 25℃; for 48h; Mechanism; Catalytic behavior; Solvent; Reagent/catalyst; Time; Irradiation; Green chemistry;	94%

: 583-39-1
2,3-dihydrobenzimidazol-2-thione

: 51-17-2
benzoimidazole

Conditions

Conditions	Yield
With dihydrogen peroxide; acetic acid at 25℃; for 0.0166667h;	93%
With sodium tetrahydroborate; nickel dichloride In methanol at 20℃; for 0.0833333h;	84%
With sodium hydrogencarbonate In dimethyl sulfoxide at 100℃; for 20h;	30%

: 50-00-0
formaldehyd

: 95-54-5
1,2-diamino-benzene

: 51-17-2
benzoimidazole

Conditions

Conditions	Yield
With zinc oxide nanoparticle In ethanol at 25℃; for 0.166667h; Sonication; Green chemistry;	93%
With zinc(II) oxide In neat (no solvent) at 20℃; for 0.5h; Milling; Green chemistry;	92%
With oxygen; pyrographite In methanol; water; acetic acid at 115℃; for 3h;	91%

: 582-24-1
1-phenyl-2-hydroxyethanone

: 95-54-5
1,2-diamino-benzene

A: 51-17-2
benzoimidazole

B: 5021-43-2
2-phenylquinoxaline

C: 716-79-0
2-phenyl-1H-benzoimidazole

Conditions

Conditions	Yield
In diethylene glycol dimethyl ether at 140℃; for 2h;	A n/a B 93% C n/a

...Expand

: 95-54-5
1,2-diamino-benzene

: 103-70-8
Formanilid

: 51-17-2
benzoimidazole

Conditions

Conditions	Yield
With zinc(II) acetate dihydrate In neat (no solvent) at 120℃; under 7600.51 Torr; for 18h; Autoclave; Inert atmosphere; Green chemistry;	92%

: 51-17-2
benzoimidazole

: 108-24-7
acetic anhydride

: 18773-95-0
1-acetylbenzimidazole

Conditions

Conditions	Yield
With acetic acid at 140℃; for 0.5h;	100%
With N-benzyl-N,N,N-triethylammonium chloride; potassium carbonate In acetonitrile at 20℃; for 0.25h; Acetylation;	63%

: 51-17-2
benzoimidazole

: 75-03-6
ethyl iodide

: 24351-22-2
1,3-diethyl-1H-benzo[d]imidazol-3-ium iodide

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile at 70℃; for 24h;	100%
With potassium carbonate In acetonitrile for 8h; Reflux;	90%
With sodium acetate In o-xylene for 3h; Reflux;	74%

: 51-17-2
benzoimidazole

: 100-44-7
benzyl chloride

: 4981-92-4
1-benzylbenzimidazole

Conditions

Conditions	Yield
With sodium hydroxide at 30℃; for 0.833333h;	100%
With potassium hydroxide; PEG-400-Et2 In water; benzene at 30℃; for 3h;	97%
With potassium hydroxide; N-butylpyridinium tetrafluoroborate at 20℃; for 3h;	97%

: 51-17-2
benzoimidazole

: 109-64-8
1,3-dibromo-propane

: 39677-02-6
1,3-bis(N-benzimidazolyl)propane

Conditions

Conditions	Yield
Stage #1: benzoimidazole With sodium hydride In tetrahydrofuran; mineral oil at 0 - 20℃; for 2h; Inert atmosphere; Stage #2: 1,3-dibromo-propane In tetrahydrofuran; mineral oil for 6h; Reflux; Inert atmosphere;	100%
Stage #1: benzoimidazole With sodium hydride In tetrahydrofuran at 0℃; Stage #2: 1,3-dibromo-propane In tetrahydrofuran	85%
	81%

: 51-17-2
benzoimidazole

: 31469-15-5
1-methoxy-2-methyl-1-trimethylsiloxy-1-propene

: 541-41-3
chloroformic acid ethyl ester

: 1,3-di(ethoxycarbonyl)-2-[1-methyl-1-(methoxycarbonyl)ethyl]benzimidazoline

Conditions

Conditions	Yield
With triethylamine In acetonitrile 1.) 0 deg C, 10 min, 2.) 0 deg C to r.t., 24 h;	100%
With triethylamine In acetonitrile at 0 - 20℃; for 24h; Addition; N-alkoxycarbonylation;	100%

...Expand

: 51-17-2
benzoimidazole

: 6651-36-1
1-(Trimethylsilyloxy)cyclohexene

: 541-41-3
chloroformic acid ethyl ester

: 1,3-di(ethoxycarbonyl)-2-(2-oxocyclohexyl)benzimidazoline

Conditions

Conditions	Yield
In dichloromethane at 20℃; for 24h; Addition; N-alkoxycarbonylation;	100%
With triethylamine In acetonitrile 1.) 0 deg C, 10 min, 2.) 0 deg C to r.t., 24 h;	82%
With triethylamine In acetonitrile at 0 - 20℃; for 24h; Addition; N-alkoxycarbonylation;	82%

...Expand

: 51-17-2
benzoimidazole

: 506-68-3
bromocyane

: 31892-41-8
1-cyanobenzoimidazole

Conditions

Conditions	Yield
With trimethylamine Ambient temperature;	100%
In benzene Heating;	75%
In benzene for 1h; Substitution; Heating;	75%

: 51-17-2
benzoimidazole

: 109-70-6
1,3-chlorobromopropane

: 151029-72-0
1-(Benzimidazol-1-yl)-3-chloropropane

Conditions

Conditions	Yield
Stage #1: benzoimidazole With sodium hydride In 1-methyl-pyrrolidin-2-one at 20℃; for 0.5h; Stage #2: 1.3-chlorobromopropane In 1-methyl-pyrrolidin-2-one at 20 - 100℃; for 76h;	100%
With tetrabutylammomium bromide; sodium hydroxide In water at 60℃; for 2.08333h;	62%
With sodium hydride 1) acetonitrile, reflux, 1 h; 2) acetonitrile, reflux, 2 h; Yield given; Multistep reaction;
With potassium carbonate In acetone for 12h; Reflux;

: 51-17-2
benzoimidazole

: 1865-56-1
3β-acetoxy-17-chloro-16-formylandrost-5,16-diene

: 851895-78-8
3-β-acetoxy-17-(1H-benzimidazol-1-yl)-16-formyl-androsta-5,16-diene

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 80℃;	100%
With potassium carbonate In N,N-dimethyl-formamide at 80℃; for 1.5h;	88.7%
With potassium carbonate In N,N-dimethyl-formamide at 80℃; for 1.5h;	88.7%

: 1722-12-9
2-chloropyrimidine

: 51-17-2
benzoimidazole

: 1-(pyrimidin-2-yl)-1H-benzo[d]imidazole

Conditions

Conditions	Yield
With tetrabutyl ammonium fluoride; 2-aminopyrimidine-4,6-diol; copper(I) bromide at 145 - 150℃; for 24h;	100%
With potassium carbonate In dimethyl sulfoxide at 70℃; for 24h; Inert atmosphere;	95%
With 1-methyl-3-(2-pyridinyl)-3,4,5,6-tetrahydropyrimidin-3-ium hexafluorophosphate; potassium tert-butylate; palladium diacetate In 1,2-dimethoxyethane at 100℃; for 0.666667h; Buchwald-Hartwig Coupling; Microwave irradiation;	93%

: 51-17-2
benzoimidazole

: 4595-60-2
2-bromopyrimidine

: 1-(pyrimidin-2-yl)-1H-benzo[d]imidazole

Conditions

Conditions	Yield
With tetrabutyl ammonium fluoride; 2-aminopyrimidine-4,6-diol; copper(I) bromide at 145 - 150℃; for 24h;	100%
With copper(I) oxide; caesium carbonate In acetonitrile at 87℃; for 64h; Inert atmosphere;	78%

: 51-17-2
benzoimidazole

: 929269-86-3
3β-acetoxy-17-chloro-16-formyl-5α-androstan-16-ene

: 1301756-12-6
3β-acetoxy-17-(1H-benzimidazol-1-yl)-16-formyl-5α-androstan-16-ene

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 25℃; for 1h; Inert atmosphere;	100%
With potassium carbonate In N,N-dimethyl-formamide at 80℃; for 1.5h;	88.7%
With potassium carbonate In N,N-dimethyl-formamide at 80℃;

: 51-17-2
benzoimidazole

: 4923-87-9
5-bromobenzo[b]thiophene

: 1011735-89-9
2-(benzo[b]thiophen-5-yl)-1H-benzo[d]imidazole

Conditions

Conditions	Yield
With diisopropylisobutylamine; [RhCl(coe)2]2 In tetrahydrofuran at 200℃; for 2h; microwave irradiation;	100%

: 51-17-2
benzoimidazole

: 462-06-6
fluorobenzene

: 2622-60-8
1-phenyl-1H-benzoimidazole

Conditions

Conditions	Yield
With caesium carbonate In N,N-dimethyl acetamide at 190℃; for 16h; Microwave irradiation;	100%
With caesium carbonate In N,N-dimethyl acetamide at 190℃; for 16h; Sealed tube;	95%

: 51-17-2
benzoimidazole

: 352-32-9
p-fluorotoluene

: 60057-83-2
1-(4-methylphenyl)-1H-benzimidazole

Conditions

Conditions	Yield
With caesium carbonate In N,N-dimethyl acetamide at 210℃; for 24h; Microwave irradiation;	100%

: 51-17-2
benzoimidazole

: 95-52-3
2-Fluorotoluene

: 34734-23-1
N-(2-methyl-1-phenyl)-1H-benzimidazole

Conditions

Conditions	Yield
With caesium carbonate In N,N-dimethyl acetamide at 210℃; for 12h; Microwave irradiation;	100%

: 51-17-2
benzoimidazole

: 1301756-18-2
(3R,5R,10S,13S)-17-chloro-16-formyl-10,13-dimethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate

: 1301756-19-3
(3R,5R,10S,13S)-17-(1H-benzo[d]imidazol-1-yl)-16-formyl-10,13-dimethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 80℃; for 1h; Inert atmosphere;	100%

: 51-17-2
benzoimidazole

: 85640-80-8
1,3-dimethylbenzimidazolium hydrogen sulfate

Conditions

Conditions	Yield
Stage #1: benzoimidazole With sodium hydroxide In methanol at 20℃; for 2h; Stage #2: With dimethyl sulfate In methanol at 40℃;	100%

: 51-17-2
benzoimidazole

: 108847-20-7
4-dibenzothiophene boronic acid

: 1-(dibenzothien-4-yl)-1H-benzimidazole

Conditions

Conditions	Yield
With copper(I) oxide In methanol at 20℃;	100%

: 51-17-2
benzoimidazole

: 108847-76-3
thianthren-1-yl boronic acid

: 1-(thianthren-1-yl)-1H-benzimidazole

Conditions

Conditions	Yield
With copper(I) oxide In methanol at 20℃;	100%

: 51-17-2
benzoimidazole

: (Z)-1-(1-(mesitylimino)-2,2-dimethylpropyl)pyridin-1-ium triflate

: (Z)-N-(1-(1H-benzo[d]imidazol-1-yl)-2,2-dimethylpropylidene)-2,4,6-trimethylaniline

Conditions

Conditions	Yield
In dichloromethane at 20℃; for 3.5h; Inert atmosphere; Schlenk technique; Glovebox;	100%

: 51-17-2
benzoimidazole

: 98-09-9
benzenesulfonyl chloride

: 15728-43-5
1-(phenylsulfonyl)-1H-benzo[d]imidazole

Conditions

Conditions	Yield
Stage #1: benzoimidazole With sodium hydride In tetrahydrofuran; mineral oil at 0℃; for 0.333333h; Inert atmosphere; Stage #2: benzenesulfonyl chloride In tetrahydrofuran; mineral oil at 0 - 20℃; Inert atmosphere;	99%
Stage #1: benzoimidazole With pyridine In dichloromethane at 25℃; for 1h; Inert atmosphere; Stage #2: benzenesulfonyl chloride In dichloromethane for 1h; Inert atmosphere;	79%
Stage #1: benzoimidazole With potassium tert-butylate In tetrahydrofuran at 0℃; for 0.0833333h; Inert atmosphere; Stage #2: benzenesulfonyl chloride In tetrahydrofuran at 0℃; Inert atmosphere;	51%

: 51-17-2
benzoimidazole

: 31469-15-5
1-methoxy-2-methyl-1-trimethylsiloxy-1-propene

: 50893-53-3
carbonochloridic acid 1-chloro-ethyl ester

: 1,3-di(1-chloroethoxycarbonyl)-2-[1-methyl-1-(methoxycarbonyl)ethyl]benzimidazoline

Conditions

Conditions	Yield
With triethylamine In acetonitrile 1.) 0 deg C, 10 min, 2.) 0 deg C, 1 h;	99%
With triethylamine In acetonitrile at 0℃; for 1h; Addition; N-alkoxycarbonylation;	99%

...Expand

Benzimidazole Consensus Reports

Reported in EPA TSCA Inventory.

Benzimidazole Specification

The Benzimidazole, with the CAS registry number 51-17-2 and EINECS registry number 200-081-4, has the systematic name of 1H-benzimidazole. And the molecular formula of this chemical is C₇H₆N₂. It is a heterocyclic aromatic organic compound with the apperance of white crystals, and it belongs to the following product categories: Benzimidazole; Pharmaceutical Intermediates; Intermediates; Imidazoles, Pyrroles, Pyrazoles, Pyrrolidines; Imidazol & Benzimidazole; Imidaxoles. In addition, it is used in the determination of cobalt.

The physical properties of Benzimidazole are as following: (1)ACD/LogP: 1.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.989; (4)ACD/LogD (pH 7.4): 1.314; (5)ACD/BCF (pH 5.5): 2.768; (6)ACD/BCF (pH 7.4): 5.847; (7)ACD/KOC (pH 5.5): 58.082; (8)ACD/KOC (pH 7.4): 122.701; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 28.68 Å²; (13)Index of Refraction: 1.697; (14)Molar Refractivity: 36.62 cm³; (15)Molar Volume: 95.095 cm³; (16)Polarizability: 14.517×10^-24cm³; (17)Surface Tension: 60.176 dyne/cm; (18)Density: 1.242 g/cm³; (19)Flash Point: 208.439 °C; (20)Enthalpy of Vaporization: 58.181 kJ/mol; (21)Boiling Point: 360 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Preparation of Benzimidazole: The synthesis involves condensation of o-phenylenediamine with formic acid, or the equivalent trimethyl orthoformate:
C₆H₄(NH₂)₂ + HC(OCH₃)₃ → C₆H₄N(NH)CH + 3 CH₃OH

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc2c(c1)[nH]cn2
(2)InChI: InChI=1/C7H6N2/c1-2-4-7-6(3-1)8-5-9-7/h1-5H,(H,8,9)
(3)InChIKey: HYZJCKYKOHLVJF-UHFFFAOYAX

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	445mg/kg (445mg/kg)		Pharmaceutical Chemistry Journal Vol. 14, Pg. 130, 1980.
mouse	LD50	intravenous	280mg/kg (280mg/kg)		"Principles of Medicinal Chemistry," Foye, W.O., et al., eds., Philadelphia, Lea & Febiger, 1974Vol. -, Pg. 246, 1974.
mouse	LD50	oral	2910mg/kg (2910mg/kg)	LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES	Journal of Pharmacology and Experimental Therapeutics. Vol. 105, Pg. 486, 1952.
rat	LD50	intraperitoneal	385mg/kg (385mg/kg)	PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)	Archives Internationales de Pharmacodynamie et de Therapie. Vol. 95, Pg. 123, 1953.
rat	LDLo	oral	500mg/kg (500mg/kg)		National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 22, 1953.

Product Name

Benzimidazole

Synthetic route

Benzimidazole Consensus Reports

Benzimidazole Specification

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