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1-(3,4,5,6-tetrahydro-pyridin-2-yl)-ethanone
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Name

1-(3,4,5,6-tetrahydro-pyridin-2-yl)-ethanone

 EINECS N/A
CAS No. 27300-27-2 Density 1.06 g/cm3
PSA 29.43000 LogP 0.63590
Solubility N/A Melting Point N/A
Formula C7H11NO Boiling Point 204.9 °C at 760 mmHg
Molecular Weight 125.17 Flash Point 77.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 27300-27-2 (2-acetyl-3,4,5,6-tetrahydropyridine,2-acetyl-3,4,5,6-tetrahydropyridine,1-(3,4,5,6-tetrahydro-2-pyridinyl)-Ethanone) Hazard Symbols N/A
Synonyms

Ketone,methyl 3,4,5,6-tetrahydro-2-pyridyl (8CI);2-Acetyl-3, 4, 5, 6-tetrahydropyridine;

Article Data 8

1-(3,4,5,6-tetrahydro-pyridin-2-yl)-ethanone Synthetic route

208102-58-3

2-(1-hydroxy-2-oxo-1-propyl)pyrrolidine

27300-27-2

1-(3,4,5,6-tetrahydro-2-pyridyl)-1-ethanone

Conditions
ConditionsYield
With phosphate buffer pH 9.0 at 100℃; for 0.5h; var. pH;35%
With phosphate buffer pH 9.0 at 100℃; for 0.5h;
1462-93-7

2-ethyl-3,4,5,6-tetrahydropyridine

A

2-ethyl-5,6-dihydropyridine-3(4H)-one

B

27300-27-2

1-(3,4,5,6-tetrahydro-2-pyridyl)-1-ethanone

Conditions
ConditionsYield
Stage #1: 2-ethyl-3,4,5,6-tetrahydropyridine With tert.-butylhydroperoxide; selenium(IV) oxide In dichloromethane at 20℃; for 9h;
Stage #2: With triphenylphosphine In dichloromethane at 0℃; for 12h;		A n/a
B 25%

5,6-Bis-[(E)-isopropylimino]-heptylamine

A

27300-27-2

1-(3,4,5,6-tetrahydro-2-pyridyl)-1-ethanone

B

25343-57-1

1-(1,4,5,6-tetrahydro-2-pyridyl)-1-ethanone

Conditions
ConditionsYield
With oxalic acid In diethyl ether Yield given. Yields of byproduct given. Title compound not separated from byproducts;
5724-81-2

1-pyrroline

116-09-6

hydroxy-2-propanone

27300-27-2

1-(3,4,5,6-tetrahydro-2-pyridyl)-1-ethanone

Conditions
ConditionsYield
at 100℃; for 0.5h; phosphate buffer pH 7.0;
2280-44-6

D-Glucose

147-85-3

L-proline

A

27300-27-2

1-(3,4,5,6-tetrahydro-2-pyridyl)-1-ethanone

B

25343-57-1

1-(1,4,5,6-tetrahydro-2-pyridyl)-1-ethanone

C

431-03-8

dimethylglyoxal

D

85213-22-5

2-acetyl-1-pyrrolidine

E

2-propanoyl-1-pyrroline

F

1-(3,4,5,6-tetrahydro-2-pyridyl)-1-propanone

Conditions
ConditionsYield
With phosphate buffer pH=7.0 In water at 160℃; for 0.166667h; flavor contribution and formation of intense roast-smelling odorants;
...Expand
163679-97-8

6-(1,1-dimethoxy)ethyl-2,3,4,5-tetrahydropyridine

A

27300-27-2

1-(3,4,5,6-tetrahydro-2-pyridyl)-1-ethanone

B

25343-57-1

1-(1,4,5,6-tetrahydro-2-pyridyl)-1-ethanone

Conditions
ConditionsYield
With hydrogenchloride In dichloromethane for 24h;
3038-89-9

Δ1-piperidein-6-carboxylate

78-98-8

2-oxopropanal

27300-27-2

1-(3,4,5,6-tetrahydro-2-pyridyl)-1-ethanone

Conditions
ConditionsYield
In phosphate buffer at 20℃; for 2h; pH=7.2;
56-87-1

L-lysine

27300-27-2

1-(3,4,5,6-tetrahydro-2-pyridyl)-1-ethanone

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: Streptomyces clavuligerus L-lysine ε-aminotransferase / aq. phosphate buffer / 1 h / 37 °C / pH 7.2
2: aq. phosphate buffer / 2 h / 20 °C / pH 7.2
View Scheme

(5-oxo-heptyl)-carbamic acid tert-butyl ester

27300-27-2

1-(3,4,5,6-tetrahydro-2-pyridyl)-1-ethanone

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: 14.7 g / TFA / CH2Cl2 / 24 h / 20 °C
2.1: TBHP; SeO2 / CH2Cl2 / 9 h / 20 °C
2.2: 25 percent / PPh3 / CH2Cl2 / 12 h / 0 °C
View Scheme
85908-96-9

2-oxopiperidine-1-carboxylic acid tert-butyl ester

27300-27-2

1-(3,4,5,6-tetrahydro-2-pyridyl)-1-ethanone

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: EtBr; TMEDA / tetrahydrofuran / 12 h / -78 °C
2.1: 14.7 g / TFA / CH2Cl2 / 24 h / 20 °C
3.1: TBHP; SeO2 / CH2Cl2 / 9 h / 20 °C
3.2: 25 percent / PPh3 / CH2Cl2 / 12 h / 0 °C
View Scheme

1-(3,4,5,6-tetrahydro-pyridin-2-yl)-ethanone Specification

The Ethanone, 1-(3, 4, 5, 6-tetrahydro-2-pyridinyl)-, with the CAS registry number 27300-27-2, is also known as 2-Acetyl-3, 4, 5, 6-tetrahydropyridine. This chemical's molecular formula is C7H11NO and molecular weight is 125.17. What's more, its IUPAC name is 1-(2, 3, 4, 5-Tetrahydropyridin-6-yl)ethanone.

Physical properties about Ethanone, 1-(3, 4, 5, 6-tetrahydro-2-pyridinyl)- are: (1)ACD/LogP: -0.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.93; (4)ACD/LogD (pH 7.4): -0.71; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.85; (8)ACD/KOC (pH 7.4): 9.75; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.43 Å2; (13)Index of Refraction: 1.524; (14)Molar Refractivity: 35.97 cm3; (15)Molar Volume: 117.5 cm3; (16)Polarizability: 14.26×10-24 cm3; (17)Surface Tension: 35.8 dyne/cm; (18)Density: 1.06 g/cm3; (19)Flash Point: 77.2 °C; (20)Enthalpy of Vaporization: 44.11 kJ/mol; (21)Boiling Point: 204.9 °C at 760 mmHg; (22)Vapour Pressure: 0.258 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(/C1=N/CCCC1)C
(2) InChI: InChI=1/C7H11NO/c1-6(9)7-4-2-3-5-8-7/h2-5H2,1H3
(3) InChIKey: GNZWXNKZMHJXNU-UHFFFAOYAY

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