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5-Chloro-1-(4-piperidyl)-2-benzimidazolinone
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Name

5-Chloro-1-(4-piperidyl)-2-benzimidazolinone

 EINECS 258-771-6
CAS No. 53786-28-0 Density 1.323 g/cm3
PSA 49.82000 LogP 2.23630
Solubility 549mg/L at 20℃ Melting Point 228-231 °C(lit.)
Formula C12H14ClN3O Boiling Point N/A
Molecular Weight 251.716 Flash Point N/A
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 53786-28-0 (5-Chloro-1-(4-piperidyl)-2-benzimidazolinone) Hazard Symbols IrritantXi
Synonyms

4-(6-Chloro-1,2-dihydro-2-oxobenzo[d]imidazol-3-yl)piperidine;5-Chloro-1-(4-piperidinyl)-1,3-dihydro-2H-benzimidazol-2-one;5-Chloro-1-(piperidin-4-yl)-1H-benzimidazol-2(3H)-one;5-Chloro-1-piperidin-4-yl-1,3-dihydrobenzimidazol-2-one;R 29676;

Article Data 8

5-Chloro-1-(4-piperidyl)-2-benzimidazolinone Synthetic route

53786-46-2

4-(5-chloro-2-oxo-2,3-dihydro-benzoimidazol-1-yl)-piperidine-1-carboxylic acid ethyl ester

53786-28-0

5-chloro-1-(piperidin-4-yl)-1,3-dihydro-2H-benzo[d]imidazol-2-one

Conditions
ConditionsYield
With sodium hydroxide for 8h; Heating;96%
With sodium hydroxide at 100℃;
With ammonium chloride In water
58859-46-4

ethyl 4-aminopiperidine-1-carboxylate

2-phenylethyl halide

2-phenylethyl halide

53786-28-0

5-chloro-1-(piperidin-4-yl)-1,3-dihydro-2H-benzo[d]imidazol-2-one

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: Na2CO3; KI / cyclohexanol / 0.17 h / 180 °C / microwave irradiation
2: Zn; aq. HCl / methanol / 50 °C
3: acetonitrile
4: aq. NaOH / 100 °C
View Scheme
53786-45-1

ethyl 4-[(2-amino-4-chlorophenyl)amino]piperidine-1-carboxylate

53786-28-0

5-chloro-1-(piperidin-4-yl)-1,3-dihydro-2H-benzo[d]imidazol-2-one

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: acetonitrile
2: aq. NaOH / 100 °C
View Scheme
Multi-step reaction with 2 steps
1: 90 percent / Et3N / CH2Cl2 / 0.5 h / 0 °C
2: 96 percent / 10percent NaOH / 8 h / Heating
View Scheme
53786-44-0

4-(4-chloro-2-nitro-anilino)-piperidine-1-carboxylic acid ethyl ester

53786-28-0

5-chloro-1-(piperidin-4-yl)-1,3-dihydro-2H-benzo[d]imidazol-2-one

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: Zn; aq. HCl / methanol / 50 °C
2: acetonitrile
3: aq. NaOH / 100 °C
View Scheme
Multi-step reaction with 3 steps
1: 93 percent / H2 / Raney Ni / ethanol; tetrahydrofuran / 1 h / Ambient temperature
2: 90 percent / Et3N / CH2Cl2 / 0.5 h / 0 °C
3: 96 percent / 10percent NaOH / 8 h / Heating
View Scheme
58859-46-4

ethyl 4-aminopiperidine-1-carboxylate

53786-28-0

5-chloro-1-(piperidin-4-yl)-1,3-dihydro-2H-benzo[d]imidazol-2-one

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: 65 percent / Na2CO3, KI / various solvent(s) / 28 h / 160 °C
2: 93 percent / H2 / Raney Ni / ethanol; tetrahydrofuran / 1 h / Ambient temperature
3: 90 percent / Et3N / CH2Cl2 / 0.5 h / 0 °C
4: 96 percent / 10percent NaOH / 8 h / Heating
View Scheme
89-61-2

2,5-dichloronitrobenzene

53786-28-0

5-chloro-1-(piperidin-4-yl)-1,3-dihydro-2H-benzo[d]imidazol-2-one

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: 65 percent / Na2CO3, KI / various solvent(s) / 28 h / 160 °C
2: 93 percent / H2 / Raney Ni / ethanol; tetrahydrofuran / 1 h / Ambient temperature
3: 90 percent / Et3N / CH2Cl2 / 0.5 h / 0 °C
4: 96 percent / 10percent NaOH / 8 h / Heating
View Scheme
87120-72-7

1-(tert-butoxycarbonyl)-4-aminopiperidine

53786-28-0

5-chloro-1-(piperidin-4-yl)-1,3-dihydro-2H-benzo[d]imidazol-2-one

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: potassium carbonate / dimethyl sulfoxide / 20 °C / Inert atmosphere
2: hydrazine hydrate / water; ethanol / 0.17 h / 45 °C
3: tetrahydrofuran / 20 °C / Inert atmosphere
4: trifluoroacetic acid / dichloromethane / 20 °C
View Scheme
345-18-6

2-fluoro-5-chloronitrobenzene

53786-28-0

5-chloro-1-(piperidin-4-yl)-1,3-dihydro-2H-benzo[d]imidazol-2-one

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: potassium carbonate / dimethyl sulfoxide / 20 °C / Inert atmosphere
2: hydrazine hydrate / water; ethanol / 0.17 h / 45 °C
3: tetrahydrofuran / 20 °C / Inert atmosphere
4: trifluoroacetic acid / dichloromethane / 20 °C
View Scheme
460047-89-6

tert-butyl 4-((4-chloro-2-nitrophenyl)amino)piperidine-1-carboxylate

53786-28-0

5-chloro-1-(piperidin-4-yl)-1,3-dihydro-2H-benzo[d]imidazol-2-one

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: hydrazine hydrate / water; ethanol / 0.17 h / 45 °C
2: tetrahydrofuran / 20 °C / Inert atmosphere
3: trifluoroacetic acid / dichloromethane / 20 °C
View Scheme
1429415-80-4

tert-butyl 4-((2-amino-4-chlorophenyl)amino)piperidine-1-carboxylate

53786-28-0

5-chloro-1-(piperidin-4-yl)-1,3-dihydro-2H-benzo[d]imidazol-2-one

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: tetrahydrofuran / 20 °C / Inert atmosphere
2: trifluoroacetic acid / dichloromethane / 20 °C
View Scheme

5-Chloro-1-(4-piperidyl)-2-benzimidazolinone Chemical Properties

Molecule structure of 5-Chloro-1-(4-piperidyl)-2-benzimidazolinone (CAS NO.53786-28-0):

IUPAC Name: 6-Chloro-3-piperidin-4-yl-1H-benzimidazol-2-one
Molecular Weight: 251.71206 [g/mol]
Molecular Formula: C12H14ClN3O 
Index of Refraction: 1.605
Molar Refractivity: 65.59 cm3
Molar Volume: 190.2 cm3
Polarizability: 26×10-24 cm3 
Melting Point: 228-231 °C(lit.)
XLogP3: 2.6
H-Bond Donor: 2
H-Bond Acceptor: 2
Rotatable Bond Count: 1
Tautomer Count: 2
Exact Mass: 251.08254
MonoIsotopic Mass: 251.08254
Topological Polar Surface Area: 44.4
Heavy Atom Count: 17
Complexity: 306
Canonical SMILES: C1CNCCC1N2C3=C(C=C(C=C3)Cl)NC2=O
InChI: InChI=1S/C12H14ClN3O/c13-8-1-2-11-10(7-8)15-12(17)16(11)9-3-5-14-6-4-9/h1-2,7,9,14H,3-6H2,(H,15,17)
InChIKey: DOAYWDKFDPSTSV-UHFFFAOYSA-N
EINECS: 258-771-6
Product Categories of 5-Chloro-1-(4-piperidyl)-2-benzimidazolinone (CAS NO.53786-28-0): Benzimidazoles; BenzimidazolesHeterocyclic Building Blocks; Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks

5-Chloro-1-(4-piperidyl)-2-benzimidazolinone Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing.
WGK Germany: 3

5-Chloro-1-(4-piperidyl)-2-benzimidazolinone Specification

 5-Chloro-1-(4-piperidyl)-2-benzimidazolinone (CAS NO.53786-28-0) is also named as 5-Chloro-1,3-dihydro-1-(4-piperidinyl)-2H-benzimidazol-2-one ; 2H-Benzimidazol-2-one,5-chloro-1,3-dihydro-1-(4-piperidinyl)- ; 4-(6-Chloro-1,2-dihydro-2-oxobenzo[d]imidazol-3-yl)piperidine ; 5-Chloro-1-(4-piperidinyl)-1,3-dihydro-2H-benzimidazol-2-one ; 5-Chloro-1-(piperidin-4-yl)-1H-benzimidazol-2(3H)-one ; 5-Chloro-1-piperidin-4-yl-1,3-dihydrobenzimidazol-2-one ; R 29676 . 5-Chloro-1-(4-piperidyl)-2-benzimidazolinone (CAS NO.53786-28-0) is white solid.

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