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CAS No.: | 621-72-7 |
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Name: | Bendazol |
Article Data: | 105 |
Molecular Structure: | |
Formula: | C14H12N2 |
Molecular Weight: | 208.263 |
Synonyms: | Benzimidazole,2-benzyl- (6CI,8CI);2-(Phenylmethyl)-1H-benzimidazole;2-Benzyl-1H-benzimidazole;2-Benzylbenzimidazole;Dibasol;Dibazol;Dibazole;Tromasedan;1H-Benzimidazole,2-(phenylmethyl)-; |
EINECS: | 210-703-6 |
Density: | 1.193 g/cm3 |
Melting Point: | 187oC |
Boiling Point: | 453.5 °C at 760 mmHg |
Flash Point: | 252.1 °C |
Appearance: | White or almost white crystalline powder |
PSA: | 28.68000 |
LogP: | 3.15370 |
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% |
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% |
N-(2-aminophenyl)-2-phenyl-N'-tosylacetamid amide
2-benzylbenzimidazole
Conditions | Yield |
---|---|
With sulfuric acid In methanol for 4h; Reflux; | 93% |
N-(methyl)phenylacetonitrilium triflate
1,2-diamino-benzene
2-benzylbenzimidazole
Conditions | Yield |
---|---|
In nitromethane at 20℃; for 0.166667h; | 92% |
Conditions | Yield |
---|---|
With hydrogenchloride In water at 150℃; for 0.666667h; Microwave irradiation; | 92% |
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% |
Conditions | Yield |
---|---|
With potassium fluoride on basic alumina; magnesium sulfate In acetonitrile at 20℃; for 1h; | 91% |
Conditions | Yield |
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With o-benzenedisulfonimide In neat (no solvent) at 20 - 25℃; for 4h; Green chemistry; | 91% |
phenylacetaldehyde
1,2-diamino-benzene
A
2-benzylbenzimidazole
B
2-benzyl-1-phenethyl-1H-benzo[d]imidazole
Conditions | Yield |
---|---|
In water at 1 - 2℃; for 0.0333333h; Green chemistry; | A 91% B 9% |
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 |
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
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | 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. |
Poison by ingestion and intraperitoneal routes. Moderately toxic by subcutaneous route. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx.
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- .