Bendazol supplier | CasNO.621-72-7

Name
Bendazol
EINECS 210-703-6
CAS No. 621-72-7
Article Data105
CAS DataBase
Density 1.193 g/cm³
Solubility
Melting Point 187oC
Formula C₁₄H₁₂N₂
Boiling Point 453.5 °C at 760 mmHg
Molecular Weight 208.263
Flash Point 252.1 °C
Transport Information
Appearance White or almost white crystalline powder
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzimidazole,2-benzyl- (6CI,8CI);2-(Phenylmethyl)-1H-benzimidazole;2-Benzyl-1H-benzimidazole;2-Benzylbenzimidazole;Dibasol;Dibazol;Dibazole;Tromasedan;1H-Benzimidazole,2-(phenylmethyl)-;
PSA 28.68000
LogP 3.15370

Synthetic route

: 1504-26-3
N-(2-nitrophenyl)-2-phenylacetamide

: 621-72-7
2-benzylbenzimidazole

Conditions

Conditions	Yield
With diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; 10% palladium on activated carbon In acetic acid at 120℃; for 15h; Inert atmosphere;	97%
With triphenylphosphine In decane at 168 - 178℃; for 12h; Inert atmosphere;	64%

: 103-82-2
phenylacetic acid

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

: 621-72-7
2-benzylbenzimidazole

Conditions

Conditions	Yield
Stage #1: phenylacetic acid; 1,2-diamino-benzene at 190℃; for 2h; Stage #2: With sodium hydroxide In water at 5℃; for 24h;	96%
With hydrogenchloride In water at 100℃; for 12h;	93%
With boric acid In 5,5-dimethyl-1,3-cyclohexadiene for 8h; Reflux;	90%

: 1189540-60-0
N-(2-aminophenyl)-2-phenyl-N'-tosylacetamid amide

: 621-72-7
2-benzylbenzimidazole

Conditions

Conditions	Yield
With sulfuric acid In methanol for 4h; Reflux;	93%

: 86774-74-5
N-(methyl)phenylacetonitrilium triflate

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

: 621-72-7
2-benzylbenzimidazole

Conditions

Conditions	Yield
In nitromethane at 20℃; for 0.166667h;	92%

: 103-81-1
Benzeneacetamide

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

: 621-72-7
2-benzylbenzimidazole

Conditions

Conditions	Yield
With hydrogenchloride In water at 150℃; for 0.666667h; Microwave irradiation;	92%

: 122-78-1
phenylacetaldehyde

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

: 621-72-7
2-benzylbenzimidazole

Conditions

Conditions	Yield
Stage #1: 1,2-diamino-benzene With choline chloride at 80℃; for 2h; Inert atmosphere; Stage #2: phenylacetaldehyde at 80℃; Inert atmosphere;	91%
With oxygen; cobalt(II) hydroxide In ethanol at 20℃; for 4h;	90%
With sodium hydrogensulfite In water at 100℃; for 0.333333h; Green chemistry; chemoselective reaction;	90%

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

: 103-80-0
phenylacetyl chloride

: 621-72-7
2-benzylbenzimidazole

Conditions

Conditions	Yield
With potassium fluoride on basic alumina; magnesium sulfate In acetonitrile at 20℃; for 1h;	91%

: 16754-56-6
(2,2,2-triethoxyethyl)benzene

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

: 621-72-7
2-benzylbenzimidazole

Conditions

Conditions	Yield
With o-benzenedisulfonimide In neat (no solvent) at 20 - 25℃; for 4h; Green chemistry;	91%

: 122-78-1
phenylacetaldehyde

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

A: 621-72-7
2-benzylbenzimidazole

B: 381710-85-6
2-benzyl-1-phenethyl-1H-benzo[d]imidazole

Conditions

Conditions	Yield
In water at 1 - 2℃; for 0.0333333h; Green chemistry;	A 91% B 9%

...Expand

: 7118-59-4
N-phenylphenylacetamidine

: 621-72-7
2-benzylbenzimidazole

Conditions

Conditions	Yield
With lead(IV) acetate In pyridine; dichloromethane at 80 - 90℃; for 1.5h;	90%
With phenyliodine(III) diacetate; caesium carbonate In 2,2,2-trifluoroethanol at 25℃; for 1.5h;	89%
Multi-step reaction with 2 steps 1: H2O; NH2OH+HCl 2: pyridine; benzene View Scheme

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

: 618-36-0
rac-methylbenzylamine

: 621-72-7
2-benzylbenzimidazole

Conditions

Conditions	Yield
With sulfur In neat (no solvent) at 130℃; for 20h; Inert atmosphere;	90%

: 4856-97-7
2-(Hydroxymethyl)benzimidazole

: 71-43-2
benzene

: 621-72-7
2-benzylbenzimidazole

Conditions

Conditions	Yield
With trifluorormethanesulfonic acid at 140℃; for 2.5h;	87%

: 6125-24-2
2-Phenylnitroethane

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

: 621-72-7
2-benzylbenzimidazole

Conditions

Conditions	Yield
With phosphorus pentoxide; water at 140℃; for 11h;	84%

: 140-29-4
phenylacetonitrile

: 28144-70-9
anthranilic acid amide

: 621-72-7
2-benzylbenzimidazole

Conditions

Conditions	Yield
With tert.-butylhydroperoxide; iodine; zinc(II) iodide In water; acetonitrile at 20℃; for 3h;	83%

: N-(phenyl)phenylacetimidamide

: 621-72-7
2-benzylbenzimidazole

Conditions

Conditions	Yield
With [bis(acetoxy)iodo]benzene In toluene at 110℃;	82%

: 7118-59-4
(N2-Phenyl)phenylacetimidamide

: 621-72-7
2-benzylbenzimidazole

Conditions

Conditions	Yield
With [bis(acetoxy)iodo]benzene In toluene at 110℃;	82%

: 536-74-3
phenylacetylene

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

: 621-72-7
2-benzylbenzimidazole

Conditions

Conditions	Yield
Stage #1: phenylacetylene; 1,2-diamino-benzene With copper(l) iodide; 4-toluenesulfonyl azide; triethylamine In acetonitrile at 20℃; for 6h; Inert atmosphere; Stage #2: With sulfuric acid In acetonitrile for 4h; Reflux;	81%

: 60-12-8
2-phenylethanol

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

: 621-72-7
2-benzylbenzimidazole

Conditions

Conditions	Yield
With C19H35Cl2CoN2P; sodium triethylborohydride In toluene at 150℃; for 24h; Molecular sieve; Schlenk technique;	80%
tris(triphenylphosphine)ruthenium(II) chloride In toluene at 200℃;	79%
With but-2-enenitrile; carbonyl bis(hydrido)tris(triphenylphosphine)ruthenium(II); pyridinium acetate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene In toluene for 8h; Inert atmosphere; Reflux;	70%

: 5344-90-1
2-Aminobenzyl alcohol

: 140-29-4
phenylacetonitrile

: 621-72-7
2-benzylbenzimidazole

Conditions

Conditions	Yield
With tert.-butylhydroperoxide; iodine; zinc(II) iodide In water; N,N-dimethyl-formamide at 20℃; for 8h;	80%

: 7146-97-6
2-(methoxylmethyl)-1H-benzo[d]imidazole

: 71-43-2
benzene

: 621-72-7
2-benzylbenzimidazole

Conditions

Conditions	Yield
With trifluorormethanesulfonic acid at 140℃; for 2.5h;	79%

: 95384-59-1
N-(2-aminophenyl)-2-phenylacetamide

: 621-72-7
2-benzylbenzimidazole

Conditions

Conditions	Yield
With acetic acid for 5h; Heating;	75%
With acetic acid for 5h; Heating;	100 mg
With acetic acid In water; dimethyl sulfoxide Inert atmosphere; Heating;

: 64-04-0
phenethylamine

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

: 621-72-7
2-benzylbenzimidazole

Conditions

Conditions	Yield
With but-2-enenitrile; 10% Pd/C; acetic acid In water; toluene at 170℃; under 15514.9 Torr; for 1.5h; Microwave irradiation; Inert atmosphere;	74%

: 1555-80-2
phenylacetic anhydride

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

: 621-72-7
2-benzylbenzimidazole

Conditions

Conditions	Yield
With o-benzenedisulfonimide In neat (no solvent) at 50℃; for 15h; Green chemistry;	74%

: 156-06-9
2-oxo-3-(phenyl)propionic acid

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

: 621-72-7
2-benzylbenzimidazole

Conditions

Conditions	Yield
With ammonium perchlorate; oxygen; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid In water; dimethyl sulfoxide at 20℃; for 15h; Electrochemical reaction;	73%

: 140-29-4
phenylacetonitrile

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

: 621-72-7
2-benzylbenzimidazole

Conditions

Conditions	Yield
With phosphoric acid at 150℃; for 0.25h; Microwave irradiation;	72%

: 51-17-2
benzoimidazole

: 100-39-0
benzyl bromide

A: 621-72-7
2-benzylbenzimidazole

B: 4981-92-4
1-benzylbenzimidazole

Conditions

Conditions	Yield
With bis(tri-n-butyltin)oxide In Petroleum ether for 8h; Product distribution; Heating; other solvents and method of preparation;	A 3% B 70%
With bis(tri-n-butyltin)oxide In Petroleum ether for 8h; Heating;	A 3% B 70%
With bis(tri-n-butyltin)oxide In acetonitrile for 8h; Heating;	A 42% B 53%

...Expand

: 122-78-1
phenylacetaldehyde

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

A: 621-72-7
2-benzylbenzimidazole

B: (2S,3R)-2-benzyl-3-phenyl-2,3,4,5-tetrahydro-1H-benzo[b][1,4]-diazepine

Conditions

Conditions	Yield
With (S)-3,3'-bis(2,4,6-tri-iso-propylphenyl)-1,1'-binaphthyl-2,2'-diyl hydrogenphosphate In chloroform; acetonitrile at 15℃; Catalytic behavior; Solvent; Molecular sieve; Inert atmosphere; stereoselective reaction;	A 8 mg B 65%

...Expand

: 615-43-0
2-iodophenylamine

: 103-81-1
Benzeneacetamide

: 621-72-7
2-benzylbenzimidazole

Conditions

Conditions	Yield
Stage #1: 2-iodophenylamine; Benzeneacetamide With copper(l) iodide; potassium phosphate tribasic trihydrate; N,N`-dimethylethylenediamine In 1,4-dioxane at 100℃; for 3h; Schlenk technique; Sealed tube; Inert atmosphere; Stage #2: With acetic acid In 1,4-dioxane Inert atmosphere; Schlenk technique; Sealed tube;	61%

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

: 101-41-7
benzeneacetic acid methyl ester

: 621-72-7
2-benzylbenzimidazole

Conditions

Conditions	Yield
With potassium fluoride on basic alumina; magnesium sulfate In acetonitrile at 20℃; for 2h;	59%

: 621-72-7
2-benzylbenzimidazole

: 955-41-9
2-benzoyl-1H-benzimidazole

Conditions

Conditions	Yield
With sulfur In N,N-dimethyl-formamide at 100℃; for 10h;	100%
With N-hydroxyphthalimide; oxygen; cobalt(II) diacetate tetrahydrate In acetic acid butyl ester under 760.051 Torr; for 12h; Heating;	94%
With oxygen In N,N-dimethyl-formamide at 120℃; under 760.051 Torr; for 6h; Schlenk technique;	84%

: 621-72-7
2-benzylbenzimidazole

: 105-39-5
chloroacetic acid ethyl ester

: 105949-50-6
ethyl 2-(2-benzyl-1H-benzimidazol-1-yl)acetate

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 80 - 90℃; for 24h;	97%
With potassium carbonate In acetone for 6h; Reflux;	95%

: 621-72-7
2-benzylbenzimidazole

: 1-ferrocenylphenylmethanol

: 2‐benzyl‐1‐(α‐ferrocenylbenzyl)benzimidazole

Conditions

Conditions	Yield
With n-butyllithium; chloroformic acid ethyl ester In tetrahydrofuran; hexane at 20℃; for 24h;	97%

: 621-72-7
2-benzylbenzimidazole

: 2162-99-4
1,8-dichlorooctane

: 1039358-82-1
C22H27ClN2

Conditions

Conditions	Yield
With sodium hydroxide Heating;	96%

: 621-72-7
2-benzylbenzimidazole

: 74-86-2
acetylene

: 39069-29-9
N-vinyl-2-benzyl-benzimidazole

Conditions

Conditions	Yield
With cadmium(II) acetate In 1,4-dioxane at 190 - 195℃; for 1h; Product distribution; other cadmium salt; other temperature;	92%
With cadmium(II) acetate In 1,4-dioxane at 190 - 195℃; for 1h; autoclave;	92%

: 141236-48-8, 35418-05-4
3-nitrocinnamoyl chloride

: 621-72-7
2-benzylbenzimidazole

: (E)-1-(2-Benzyl-benzoimidazol-1-yl)-3-(3-nitro-phenyl)-propenone

Conditions

Conditions	Yield
With pyridine In tetrahydrofuran 1.) 0 deg C, 0.5 h, 2.) 20 deg C, 1 h;	92%

: 621-72-7
2-benzylbenzimidazole

: 98-88-4
benzoyl chloride

: 439574-25-1
(2-benzyl-1H-benzo[d]imidazol-1-yl)(phenyl)methanone

Conditions

Conditions	Yield
With sodium hydroxide Heating;	91%

: 621-72-7
2-benzylbenzimidazole

: 142-28-9
1,3-Dichloropropane

: 63387-99-5
2-benzyl-1-(3-chloro-propyl)-1H-benzoimidazole

Conditions

Conditions	Yield
With sodium hydroxide Heating;	91%

: 621-72-7
2-benzylbenzimidazole

: 98-59-9
p-toluenesulfonyl chloride

: 300398-28-1
2-benzyl-1-p-toluenesulfonylbenzimidazole

Conditions

Conditions	Yield
With sodium hydroxide Heating;	90%

: 621-72-7
2-benzylbenzimidazole

: 2163-00-0
1,6-dichlorohexane

: 1039358-79-6
C20H23ClN2

Conditions

Conditions	Yield
With sodium hydroxide Heating;	90%

: 621-72-7
2-benzylbenzimidazole

: 105-36-2
ethyl bromoacetate

: 105949-50-6
ethyl 2-(2-benzyl-1H-benzimidazol-1-yl)acetate

Conditions

Conditions	Yield
Stage #1: 2-benzylbenzimidazole With potassium carbonate In acetone at 20℃; for 1h; Stage #2: ethyl bromoacetate In acetone at 20℃; for 8h;	90%

: 621-72-7
2-benzylbenzimidazole

: C14H12N2O*ClH

Conditions

Conditions	Yield
With hydrogenchloride; pyrographite at 95℃; for 10h; Temperature;	89.3%

: acethylacetonato(1,5-cyclooctadiene)rhodium(I)

: 621-72-7
2-benzylbenzimidazole

: 81240-06-4
Rh(C7H4N2CH2C6H5)(C8H12)

Conditions

Conditions	Yield
In acetone acetone soln. of imidazole was mixed with a stoich. amt. (1:1) of Rh(acac)(COD) in acetone at room temp.; osmometric measurement of mol. weightin CHCl3 suppose the nuclearity of the product to be between 2 and 3, but this value decreases with dilution; soln. was concd., stirred for 20 min, ppt. was filtered off, washed with methanol, and air-dried; elem. anal.;	88%

: 621-72-7
2-benzylbenzimidazole

: 17823-33-5
3-(2-bromoacetyl)benzenesulfonamide

: 1560633-32-0
3-[2-(2-benzyl-1H-benzimidazol-1-yl)acetyl]benzenesulfonamide

Conditions

Conditions	Yield
With sodium acetate In tetrahydrofuran at 20℃; for 24h;	88%

: 621-72-7
2-benzylbenzimidazole

: 1277-49-2
1-ferrocenylethanol

: 2‐benzyl‐1‐(1‐ferrocenylethyl)benzimidazole

Conditions

Conditions	Yield
With n-butyllithium; chloroformic acid ethyl ester In tetrahydrofuran; hexane at 20℃; for 24h;	88%

: 621-72-7
2-benzylbenzimidazole

: 821-76-1
1,7-dichloroheptane

: 1039358-81-0
C21H25ClN2

Conditions

Conditions	Yield
With sodium hydroxide Heating;	87%

: 50-00-0
formaldehyd

: 621-72-7
2-benzylbenzimidazole

: 161374-07-8
ethyl 4-(4-methoxyphenyl)-6-methyl-1,2,3,4-tetrahydropyrimidin-2-one-5-carboxylate

: C45H42N6O4

Conditions

Conditions	Yield
Stage #1: formaldehyd; ethyl 4-(4-methoxyphenyl)-6-methyl-1,2,3,4-tetrahydropyrimidin-2-one-5-carboxylate In N,N-dimethyl-formamide at 20℃; for 0.5h; Mannich reaction; Stage #2: 2-benzylbenzimidazole In N,N-dimethyl-formamide Mannich reaction; Reflux;	87%

...Expand

: 50-00-0
formaldehyd

: 621-72-7
2-benzylbenzimidazole

: 762-04-9
phosphonic acid diethyl ester

: 75573-34-1
diethyl<(2-benzyl-1-benzimidazolyl)methyl>phosphonate

Conditions

Conditions	Yield
at 80 - 100℃; for 14h;	86%
Kabachnik-Fields reaction; Heating;	86%

...Expand

Bendazol Chemical Properties

Molecular Formula: C₁₄H₁₂N₂
Molecular Weight: 208.26g/mol
Mol File: 621-72-7.mol
Einecs: 210-703-6
Index of Refraction: 1.679
Molar Refractivity: 65.93 cm³
Molar Volume: 174.4 cm³
Melting Point: 187 °C
Boiling point: 453.5 °C at 760 mmHg
Flash Point: 252.1 °C
Density: 1.193 g/cm³
Surface Tension: 55.3 dyne/cm
Enthalpy of Vaporization: 68.56 kJ/mol
Vapour Pressure of Bendazol (CAS NO.621-72-7): 5.52E-08 mmHg at 25 °C
XLogP3-AA: 3.2
H-Bond Donor: 1
H-Bond Acceptor: 1
Structure Descriptors of Bendazol (CAS NO.621-72-7):
IUPAC Name: 2-benzyl-1H-benzimidazole
Canonical SMILES: C1=CC=C(C=C1)CC2=NC3=CC=CC=C3N2
InChI: InChI=1S/C14H12N2/c1-2-6-11(7-3-1)10-14-15-12-8-4-5-9-13(12)16-14/h1-9H,10H2,(H,15,16)
InChIKey: YTLQFZVCLXFFRK-UHFFFAOYSA-N
Classification Code: Adjuvants, immunologic; Antihypertensive agents; Cardiovascular Agents; Central Nervous System Agents; Drug / Therapeutic Agent; Immunologic Factors; Interferon inducers; Muscle relaxants, central; Neuromuscular Agents; Peripheral Nervous System Agents; Reproductive Effect

Bendazol Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
mouse	LD50	intraperitoneal	200mg/kg (200mg/kg)	Khimiko-Farmatsevticheskii Zhurnal. Chemical Pharmaceutical Journal. For English translation, see PCJOAU. Vol. 24(6), Pg. 25, 1990.
mouse	LD50	intravenous	64400ug/kg (64.4mg/kg)	French Demande Patent Document. Vol. #2292473,
mouse	LD50	oral	100mg/kg (100mg/kg)	Farmatsevtichnii Zhurnal Vol. (1), Pg. 44, 1983.
mouse	LD50	unreported	100mg/kg (100mg/kg)	Farmatsevtichnii Zhurnal Vol. (5), Pg. 26, 1983.
mouse	LDLo	subcutaneous	504mg/kg (504mg/kg)	Pharmaceutical Chemistry Journal Vol. 13, Pg. 829, 1979.

Bendazol Safety Profile

Poison by ingestion and intraperitoneal routes. Moderately toxic by subcutaneous route. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NO_x.

Bendazol Specification

Bendazol ,its CAS NO. is 621-72-7,the synonyms is 2-(Phenylmethyl)-1H-benzimidazole ; 2-Benzylbenzimidazole ; 2-Benzylbenziminazole ; Bendazolum ; Dibazole ; Tromasedan ; 1H-Benzimidazole, 2-(phenylmethyl)- (9CI) ; Benzimidazole, 2-benzyl- .

Product Name

Bendazol

Synthetic route

Bendazol Chemical Properties

Bendazol Toxicity Data With Reference

Bendazol Safety Profile

Bendazol Specification

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