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5-(4-Chlorobutyl)-1-cyclohexanyl tetrazole
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Name

5-(4-Chlorobutyl)-1-cyclohexanyl tetrazole

 EINECS N/A
CAS No. 73963-42-5 Density 1.29 g/cm3
PSA 43.60000 LogP 2.73980
Solubility N/A Melting Point 49-52 °C
Formula C11H19ClN4 Boiling Point 425.2 °C at 760 mmHg
Molecular Weight 242.752 Flash Point 210.9 °C
Transport Information N/A Appearance white solid
Safety Risk Codes  Xi:;
Molecular Structure Molecular Structure of 73963-42-5 (5-(4-Chlorobutyl)-1-cyclohexanyl tetrazole) Hazard Symbols IrritantXi
Synonyms

1-Cyclohexyl-5-(4-chlorobutyl)-1,2,3,4-tetrazole;1-Cyclohexyl-5-(4-chlorobutyl)tetrazole;

Article Data 5

5-(4-Chlorobutyl)-1-cyclohexanyl tetrazole Synthetic route

15865-18-6

N-(5-chloro-n-pentanoyl)cyclohexylamine

73963-42-5

1-cyclohexyl-5-(4-chlorobutyl)-1,2,3,4-tetrazole

Conditions
ConditionsYield
Stage #1: N-(5-chloro-n-pentanoyl)cyclohexylamine With phosphorus pentachloride In toluene at 20℃; for 3h;
Stage #2: With trimethylsilylazide at 20℃; for 16h;		93%
With tris-(2-chloro-ethyl)-amine; phosphorus pentachloride 1.) r.t., 1 h, benzene, 2.) benzene, r.t., reflux, 2 h; Yield given. Multistep reaction;
Stage #1: N-(5-chloro-n-pentanoyl)cyclohexylamine With chloro-trimethyl-silane; sodium azide In toluene at 20℃; for 0.833333h; Inert atmosphere;
Stage #2: With phosphorus pentachloride In toluene at 0 - 55℃;		56 g
1119-46-6

5-chloro-valeric acid

108-91-8

cyclohexylamine

73963-42-5

1-cyclohexyl-5-(4-chlorobutyl)-1,2,3,4-tetrazole

Conditions
ConditionsYield
With trimethylsilylazide; trichlorophosphate In acetonitrile at 120℃; for 0.166667h; Microwave irradiation;65%
10026-13-8, 874483-75-7

phosphorus pentachloride

15865-18-6

N-(5-chloro-n-pentanoyl)cyclohexylamine

73963-42-5

1-cyclohexyl-5-(4-chlorobutyl)-1,2,3,4-tetrazole

Conditions
ConditionsYield
With hydrogen azide In ethyl acetate; benzene
54197-66-9

3,4-dihydro-6-hydroxy-2(1H)-quinolinone

73963-42-5

1-cyclohexyl-5-(4-chlorobutyl)-1,2,3,4-tetrazole

73963-72-1

6-[4-(1-cyclohexyl-1H-tetrazol-5-yl)butoxy]-3,4-dihydrocarbostyril

Conditions
ConditionsYield
With potassium carbonate; sodium hydroxide; sodium sulfite In ethanol for 8h; Reflux;92.5%
With potassium carbonate; sodium hydroxide; sodium sulfite In water at 92℃; for 6h; Solvent; Reagent/catalyst; Temperature;91.5%
With potassium hydroxide In ethanol at 80℃; for 12h; Solvent; Reagent/catalyst; Temperature; Inert atmosphere; Sealed tube;90%
73963-42-5

1-cyclohexyl-5-(4-chlorobutyl)-1,2,3,4-tetrazole

1221230-57-4

1-cyclohexyl-5-(4-chlorobutyl)tetrazole-3-oxide

Conditions
ConditionsYield
With acetonitrile complex of hypofluorous acid In dichloromethane at 0℃;90%
5470-65-5

3-bromo-4-nitrophenol

73963-42-5

1-cyclohexyl-5-(4-chlorobutyl)-1,2,3,4-tetrazole

C17H22BrN5O3

Conditions
ConditionsYield
With sodium hydroxide In butan-1-ol for 8h; Reagent/catalyst; Solvent; Reflux;90%
54197-66-9

3,4-dihydro-6-hydroxy-2(1H)-quinolinone

73963-42-5

1-cyclohexyl-5-(4-chlorobutyl)-1,2,3,4-tetrazole

A

865792-18-3

6-[4-(1-cyclohexyl-1H-tetrazol-5-yl)-butoxy]-1-[4-(1-cyclohexyl-1H-tetrazol-5-yl)-butyl]-3,4-dihydro-1H-quinolin-2-one

B

73963-72-1

6-[4-(1-cyclohexyl-1H-tetrazol-5-yl)butoxy]-3,4-dihydrocarbostyril

C

73963-62-9

OPC 13015

Conditions
ConditionsYield
With 1,8-diazabicyclo[5.4.0]undec-7-ene In ethanol at 75 - 80℃;A n/a
B 89%
C n/a
98454-56-9

5-hydroxy-2-nitrobenzaldehyde ethylene acetal

73963-42-5

1-cyclohexyl-5-(4-chlorobutyl)-1,2,3,4-tetrazole

98454-57-0

5-<4-(1-cyclohexy-1H-5-tetrazolyl)butoxy>-2-nitrobenzaldehyde ethylene acetal

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 120℃; for 6h;87%
19315-93-6

6-hydroxy-1H-quinolin-2-one

73963-42-5

1-cyclohexyl-5-(4-chlorobutyl)-1,2,3,4-tetrazole

73963-62-9

OPC 13015

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 80℃; for 7h;85%
With potassium hydroxide In isopropyl alcohol for 4h; Heating;37%
580-16-5

6-hydroxyquinoline

73963-42-5

1-cyclohexyl-5-(4-chlorobutyl)-1,2,3,4-tetrazole

1140833-77-7

6-[4-(1-cyclohexyl-1H-tetrazol-5-yl)butoxy]quinoline

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 80℃; for 7h;80%

5-(4-Chlorobutyl)-1-cyclohexanyl tetrazole Specification

The 5-(4-Chlorobutyl)-1-cyclohexanyl tetrazole with cas registry number of 73963-42-5 is also called 5-(4-Chlorobutyl)-1-cyclohexyl-1H-tetrazole which is also its systematic name. It is white solid. It belongs to the following categories: Tetrazoles; Heterocycles. It is used as intermediate of cilostazol.

The physical properties about this chemical are: (1)ACD/LogP: 2.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.61; (4)ACD/LogD (pH 7.4): 2.61; (5)ACD/BCF (pH 5.5): 56.73; (6)ACD/BCF (pH 7.4): 56.73; (7)ACD/KOC (pH 5.5): 626.59; (8)ACD/KOC (pH 7.4): 626.59; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.622; (13)Molar Refractivity: 65.85 cm3; (14)Molar Volume: 186.9 cm3; (15)Surface Tension: 47.8 dyne/cm; (16)Density: 1.29 g/cm3; (17)Flash Point: 210.9 °C; (18)Enthalpy of Vaporization: 67.98 kJ/mol; (19)Boiling Point: 425.2 °C at 760 mmHg; (20)Vapour Pressure: 1.95E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCCCCc1nnnn1C2CCCCC2;
(2)InChI: InChI=1/C11H19ClN4/c12-9-5-4-8-11-13-14-15-16(11)10-6-2-1-3-7-10/h10H,1-9H2;
(3)InChIKey: INTQSGGUSUSCTJ-UHFFFAOYAP

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