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| CAS No.: | 56403-09-9 |
|---|---|
| Name: | 1,8-Diazacyclotetradecane-2,9-dione |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C12H22N2O2 |
| Molecular Weight: | 226.319 |
| Synonyms: | 1,8-Diaza-2,9-dioxocyclotetradecane;2H-Azepin-2-one, hexahydro-, cyclic dimer;6-Aminohexanoate cyclic dimer;Caprolactam cyclic dimer;Caprolactam dimer;Cyclic dimer of e-caprolactam;Hexanoic acid,6-amino-, bimol. cyclic lactam;e-Aminocaproic acid cyclic dimer;e-Caprolactam cyclic dimer; |
| Density: | 0.97 g/cm3 |
| Melting Point: | 341 °C |
| Boiling Point: | 497.766 °C at 760 mmHg |
| Flash Point: | 204.11 °C |
| PSA: | 65.18000 |
| LogP: | 1.90500 |
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- 112507-71-8
13-benzyloxycarbonylamino-8-oxo-7-azatridecanoic acid hydrazide
- 56403-09-9
1,8-diazacyclotetradecane-2,9-dione
| Conditions | Yield |
|---|---|
| ueber 6-<6-Amino-hexanoylamino>-hexansaeure-hydrazid-hydrobromid und das entsprechende Azid; | |
| Multi-step reaction with 3 steps 1: 33percent HBr / acetic acid / 1 h / 20 °C 2: 1 M HCl, aq. NaNO2 / 0.25 h / 0 °C 3: aq. NaHCO3 / 4 h / 20 °C View Scheme |
- 2014-58-6
6-(6-aminohexanamido)hexanoic acid
- 541-41-3
chloroformic acid ethyl ester
- 56403-09-9
1,8-diazacyclotetradecane-2,9-dione
| Conditions | Yield |
|---|---|
| With tributyl-amine |
- 56403-09-9
1,8-diazacyclotetradecane-2,9-dione
| Conditions | Yield |
|---|---|
| With sodium hydrogencarbonate at 20℃; for 4h; Yield given; |
- 109565-05-1
6-(6-amino-hexanoylamino)-hexanoic acid-(4-nitro-phenyl ester); hydrobromide
- 56403-09-9
1,8-diazacyclotetradecane-2,9-dione
| Conditions | Yield |
|---|---|
| With pyridine In N,N-dimethyl-formamide at 60℃; for 4h; Yield given; |
- 56403-09-9
1,8-diazacyclotetradecane-2,9-dione
| Conditions | Yield |
|---|---|
| With triethylamine In N,N-dimethyl-formamide at 60℃; for 4h; Yield given; |
- 56403-09-9
1,8-diazacyclotetradecane-2,9-dione
| Conditions | Yield |
|---|---|
| With tributyl-amine; N,N-dimethyl-formamide |
- 56403-09-9
1,8-diazacyclotetradecane-2,9-dione
| Conditions | Yield |
|---|---|
| With triethylamine; N,N-dimethyl-formamide |
- 56403-09-9
1,8-diazacyclotetradecane-2,9-dione
| Conditions | Yield |
|---|---|
| With triethylamine; N,N-dimethyl-formamide |
- 51513-80-5
N-Boc-6-aminohexanoic acid N-hydroxysuccinimide ester
- 56403-09-9
1,8-diazacyclotetradecane-2,9-dione
| Conditions | Yield |
|---|---|
| Multi-step reaction with 5 steps 1: 94 percent / 1,2-dimethoxy-ethane / 3 h 2: 100 percent / H2, AcOH / 10percent Pd/C / methanol / 1 h / 760 Torr 3: 90 percent / DCC / ethyl acetate / 3 h / 0 - 20 °C 4: 0.25 h / 50 °C 5: Et3N / dimethylformamide / 4 h / 60 °C View Scheme | |
| Multi-step reaction with 4 steps 1: 95 percent / aq. NaHCO3 / 1,2-dimethoxy-ethane / 3 h / Ambient temperature 2: 90 percent / DCC / ethyl acetate / 3 h / 0 - 20 °C 3: 0.25 h / 50 °C 4: Et3N / dimethylformamide / 4 h / 60 °C View Scheme |
- 6404-29-1
6-(tert-butoxycarbonylamino)hexanoic acid
- 56403-09-9
1,8-diazacyclotetradecane-2,9-dione
| Conditions | Yield |
|---|---|
| Multi-step reaction with 6 steps 1: 55 percent / DCC / 1,2-dimethoxy-ethane / 20 h / 0 °C 2: 94 percent / 1,2-dimethoxy-ethane / 3 h 3: 100 percent / H2, AcOH / 10percent Pd/C / methanol / 1 h / 760 Torr 4: 90 percent / DCC / ethyl acetate / 3 h / 0 - 20 °C 5: 0.25 h / 50 °C 6: Et3N / dimethylformamide / 4 h / 60 °C View Scheme | |
| Multi-step reaction with 5 steps 1: 55 percent / DCC / 1,2-dimethoxy-ethane / 20 h / 0 °C 2: 95 percent / aq. NaHCO3 / 1,2-dimethoxy-ethane / 3 h / Ambient temperature 3: 90 percent / DCC / ethyl acetate / 3 h / 0 - 20 °C 4: 0.25 h / 50 °C 5: Et3N / dimethylformamide / 4 h / 60 °C View Scheme |
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Specification
The 1,8-Diazacyclotetradecane-2,9-dione, with the CAS registry number 56403-09-9, is also known as 7,14-Diazacyclotetradecane-1,8-dione. This chemical's molecular formula is C12H22N2O2 and molecular weight is 226.32. What's more, its IUPAC name is the same with its product name.
Physical properties about 1,8-Diazacyclotetradecane-2,9-dione are: (1)ACD/LogP: -0.079; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.08; (4)ACD/LogD (pH 7.4): -0.08; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 21.59; (8)ACD/KOC (pH 7.4): 21.59; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 58.2 Å2; (13)Index of Refraction: 1.446; (14)Molar Refractivity: 62.298 cm3; (15)Molar Volume: 233.421 cm3; (16)Polarizability: 24.697×10-24cm3; (17)Surface Tension: 30.377 dyne/cm; (18)Density: 0.97 g/cm3; (19)Flash Point: 204.11 °C; (20)Enthalpy of Vaporization: 76.581 kJ/mol; (21)Boiling Point: 497.766 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C1NCCCCCC(=O)NCCCCC1
(2) InChI: InChI=1S/C12H22N2O2/c15-11-7-3-1-5-9-13-12(16)8-4-2-6-10-14-11/h1-10H2,(H,13,16)(H,14,15)
(3) InChIKey: HERSSAVMHCMYSQ-UHFFFAOYSA-N