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| CAS No.: | 53786-28-0 |
|---|---|
| Name: | 5-Chloro-1-(4-piperidyl)-2-benzimidazolinone |
| Article Data: | 8 |
| Molecular Structure: | |
|
|
|
| Formula: | C12H14ClN3O |
| Molecular Weight: | 251.716 |
| 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; |
| EINECS: | 258-771-6 |
| Density: | 1.323 g/cm3 |
| Melting Point: | 228-231 °C(lit.) |
| Solubility: | 549mg/L at 20℃ |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 49.82000 |
| LogP: | 2.23630 |
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- 548773-13-32-amino-4,6-dimethylpyrimidine-5-carboxylic acid
- 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 | Yield |
|---|---|
| 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
- 53786-28-0
5-chloro-1-(piperidin-4-yl)-1,3-dihydro-2H-benzo[d]imidazol-2-one
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 |
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2-fluoro-5-chloronitrobenzene
- 53786-28-0
5-chloro-1-(piperidin-4-yl)-1,3-dihydro-2H-benzo[d]imidazol-2-one
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: tetrahydrofuran / 20 °C / Inert atmosphere 2: trifluoroacetic acid / dichloromethane / 20 °C View Scheme |
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Chemistry
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
Safety Profile
Hazard Codes: 
Xi
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
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.