CAS No.79098-75-2,3-(Piperidin-4-yl)-3,4-dihydroquinazolin-2(1H)-one Suppliers

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Basic Information

Molecular Structure:
CAS No.:	79098-75-2
Name:	3-(Piperidin-4-yl)-3,4-dihydroquinazolin-2(1H)-one
Article Data:	7

Formula:	C₁₃H₁₇N₃O
Molecular Weight:	231.297
Synonyms:	3-(Piperidin-4-yl)-3,4-dihydroquinazolin-2(1H)-one;3-Piperidin-4-yl-3,4-dihydro-1H-quinazolin-2-one;
Density:	1.18 g/cm³
Boiling Point:	459.008 °C at 760 mmHg
Flash Point:	231.4 °C
PSA:	44.37000
LogP:	2.19080

Synthetic route

: 79098-88-7
1-benzyl-4-(1,2,3,4-tetrahydro-2-oxo-3-quinazolinyl)piperidine

: 79098-75-2
3-piperidin-4-yl-3,4-dihydro-1H-quinazoline-2-one

Conditions

Conditions	Yield
With palladium 10% on activated carbon; hydrogen In methanol for 48h;	100%
With hydrogen; Pd/C In ethanol at 60℃; under 1500.15 Torr;	85%
With hydrogen; palladium on activated charcoal In ethanol at 60℃; under 1500.15 Torr;	85%

: 960221-97-0
tert-butyl 4-(2-oxo-1,2,3,4-tetrahydroquinazolin-3-yl)piperidine-1-carboxylate

: 79098-75-2
3-piperidin-4-yl-3,4-dihydro-1H-quinazoline-2-one

Conditions

Conditions	Yield
With trifluoroacetic acid In dichloromethane at 20℃;	92%

: 552-89-6
2-nitro-benzaldehyde

: 79098-75-2
3-piperidin-4-yl-3,4-dihydro-1H-quinazoline-2-one

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: sodium tetrahydroborate; methanol 2: hydrogen / palladium on activated charcoal / ethanol 3: acetonitrile / Reflux View Scheme

: 50541-93-0
4-amino-1-benzylpiperidine

: 79098-75-2
3-piperidin-4-yl-3,4-dihydro-1H-quinazoline-2-one

Conditions

Yield

Multi-step reaction with 3 steps
1: sodium tetrahydroborate; methanol
2: hydrogen / palladium on activated charcoal / ethanol
3: acetonitrile / Reflux
View Scheme

Multi-step reaction with 5 steps
1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; benzotriazol-1-ol; triethylamine / N,N-dimethyl-formamide / 5 h / 70 °C
2: trifluoroacetic acid / dichloromethane / 20 h / 0 - 20 °C
3: lithium aluminium tetrahydride / 1,4-dioxane / 3 h / Reflux
4: tetrahydrofuran / 5 h / 20 °C
5: hydrogen; palladium 10% on activated carbon / methanol / 48 h
View Scheme

: 79099-03-9
2-amino-N-[1-(phenylmethyl)-4-piperidinyl]-benzenemethanamine

: 530-62-1
1,1'-carbonyldiimidazole

: 79098-75-2
3-piperidin-4-yl-3,4-dihydro-1H-quinazoline-2-one

Conditions

Conditions	Yield
Stage #1: 2-amino-N-[1-(phenylmethyl)-4-piperidinyl]-benzenemethanamine; 1,1'-carbonyldiimidazole In acetonitrile Reflux; Stage #2: With hydrogen; palladium(II) hydroxide In methanol

: 98754-28-0
(1-benzyl-piperidin-4-yl)-(2-nitro-benzyl)-amine

: 79098-75-2
3-piperidin-4-yl-3,4-dihydro-1H-quinazoline-2-one

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: hydrogen / palladium on activated charcoal / ethanol 2: acetonitrile / Reflux View Scheme

: [2-(1-benzyl-piperidin-4-ylcarbamoyl)phenyl] tert-butyl carbamate

: 79098-75-2
3-piperidin-4-yl-3,4-dihydro-1H-quinazoline-2-one

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: trifluoroacetic acid / dichloromethane / 20 h / 0 - 20 °C 2: lithium aluminium tetrahydride / 1,4-dioxane / 3 h / Reflux 3: tetrahydrofuran / 5 h / 20 °C 4: hydrogen; palladium 10% on activated carbon / methanol / 48 h View Scheme

: 83425-16-5
2-amino-N-(1-benzyl-piperidin-4-yl)-benzamide

: 79098-75-2
3-piperidin-4-yl-3,4-dihydro-1H-quinazoline-2-one

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: lithium aluminium tetrahydride / 1,4-dioxane / 3 h / Reflux 2: tetrahydrofuran / 5 h / 20 °C 3: hydrogen; palladium 10% on activated carbon / methanol / 48 h View Scheme

: 79099-03-9
2-amino-N-[1-(phenylmethyl)-4-piperidinyl]-benzenemethanamine

: 79098-75-2
3-piperidin-4-yl-3,4-dihydro-1H-quinazoline-2-one

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: tetrahydrofuran / 5 h / 20 °C 2: hydrogen; palladium 10% on activated carbon / methanol / 48 h View Scheme

: 68790-38-5
2-(tert-butyloxycarbonylamino)benzoic acid

: 79098-75-2
3-piperidin-4-yl-3,4-dihydro-1H-quinazoline-2-one

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; benzotriazol-1-ol; triethylamine / N,N-dimethyl-formamide / 5 h / 70 °C 2: trifluoroacetic acid / dichloromethane / 20 h / 0 - 20 °C 3: lithium aluminium tetrahydride / 1,4-dioxane / 3 h / Reflux 4: tetrahydrofuran / 5 h / 20 °C 5: hydrogen; palladium 10% on activated carbon / methanol / 48 h View Scheme

Yield

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Specification

The 3-(Piperidin-4-yl)-3,4-dihydroquinazolin-2(1H)-one, its cas register number is 79098-75-2. It also can be called as 2(1H)-Quinazolinone,3,4-dihydro-3-(4-piperidinyl)- and the Systematic name about this chemical is 3-piperidin-4-yl-3,4-dihydroquinazolin-2(1H)-one.

Following are the chemical properties about 3-(Piperidin-4-yl)-3,4-dihydroquinazolin-2(1H)-one: (1)#H bond acceptors: 4; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 44.37Å²; (5)Index of Refraction: 1.581; (6)Molar Refractivity: 65.311 cm³; (7)Molar Volume: 195.993 cm³; (8)Polarizability: 25.891x10^-24cm³; (9)Surface Tension: 45.599 dyne/cm; (10) Enthalpy of Vaporization: 71.942 kJ/mol; (11)Boiling Point: 459.008 °C at 760 mmHg

This chemical can be described computed from structure:
(1)SMILES:O=C2N(Cc1ccccc1N2)C3CCNCC3
(2)InChI: InChI=1/C13H17N3O/c17-13-15-12-4-2-1-3-10(12)9-16(13)11-5-7-14-8-6-11/h1-4,11,14H,5-9H2,(H,15,17)
(3)InChIKey: KSTFHYBYFDYWSD-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C13H17N3O/c17-13-15-12-4-2-1-3-10(12)9-16(13)11-5-7-14-8-6-11/h1-4,11,14H,5-9H2,(H,15,17)
(5)Std. InChIKey: KSTFHYBYFDYWSD-UHFFFAOYSA-N