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- 153559-46-7Benzoic acid,4-[(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl]-
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Cas Database |
| Name |
Methyl 4-[(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl]benzoate |
EINECS | N/A |
| CAS No. | 153559-45-6 | Density | 1.055 |
| PSA | 43.37000 | LogP | 5.36160 |
| Solubility | N/A | Melting Point |
143-144 °C(Solv: ethyl acetate (141-78-6); methanol (67-56-1)) |
| Formula | C24H28 O3 | Boiling Point | 472.829oC at 760 mmHg |
| Molecular Weight | 364.485 | Flash Point | 203.311oC |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Methyl4-[(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl]benzoate |
Article Data | 10 |
Methyl 4-[(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl]benzoate Synthetic route
- 1679-64-7
Monomethyl terephthalate
- 6683-48-3
1,1,4,4,6-pentamethyl-1,2,3,4-tetrahydronaphthalene
- 153559-45-6
methyl 4-<(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl>benzoate
| Conditions | Yield |
|---|---|
| With aluminum (III) chloride; thionyl chloride In dichloromethane at 20℃; for 4h; Temperature; Solvent; Reflux; | 95.3% |
- 6683-48-3
1,1,4,4,6-pentamethyl-1,2,3,4-tetrahydronaphthalene
- 7377-26-6
4-Methoxycarbonylbenzoyl chloride
- 153559-45-6
methyl 4-<(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl>benzoate
| Conditions | Yield |
|---|---|
| With aluminum (III) chloride Friedel Crafts Acylation; | 82% |
| With iron(III) chloride In 1,2-dichloro-ethane at 75℃; for 16h; Friedel-Crafts acylation; | 81% |
| With aluminium trichloride In dichloromethane for 0.25h; Heating; | 72% |
- 110-03-2
2,5-dimethyl-2,5-hexanediol
- 153559-45-6
methyl 4-<(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl>benzoate
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: HCl conc. / 3 h / 20 °C 2: 99 percent / AlCl3 / CH2Cl2 / 20 °C 3: 81 percent / FeCl3 / 1,2-dichloro-ethane / 16 h / 75 °C View Scheme | |
| Multi-step reaction with 3 steps 1: 56 percent / HCl gas / ethanol 2: 91 percent / AlCl3 / CH2Cl2 / 1.) RT, 30 min, 2.) reflux, 15 min 3: 72 percent / AlCl3 / CH2Cl2 / 0.25 h / Heating View Scheme | |
| Multi-step reaction with 3 steps 1: hydrogenchloride / water 2: aluminum (III) chloride 3: aluminum (III) chloride View Scheme |
- 6223-78-5
2,5-dichloro-2,5-dimethyl hexane
- 153559-45-6
methyl 4-<(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl>benzoate
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 99 percent / AlCl3 / CH2Cl2 / 20 °C 2: 81 percent / FeCl3 / 1,2-dichloro-ethane / 16 h / 75 °C View Scheme | |
| Multi-step reaction with 2 steps 1: aluminum (III) chloride 2: aluminum (III) chloride View Scheme | |
| Multi-step reaction with 2 steps 1: aluminum (III) chloride / 1 h / 0 - 20 °C 2: iron(III) chloride / 1,2-dichloro-ethane / 75 °C / Inert atmosphere View Scheme |
- 29020-85-7
1,1,4,4,7-pentamethyl-2-oxo-1,2,3,4-tetrahydronaphthalene
- 153559-45-6
methyl 4-<(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl>benzoate
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 1: 87 percent / LiAlH4 / diethyl ether / 1 h / Heating 2: 79 percent / POCl3, pyridine / 100 °C 3: 80 percent / H2 / 10percent Pd/C / ethyl acetate / 1 h 4: 67 percent / AlCl3 / CH2Cl2 / 0.25 h / Heating View Scheme |
- 5455-94-7
2,2,5,5-tetramethyltetrahydro-3-oxofuran
- 153559-45-6
methyl 4-<(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl>benzoate
| Conditions | Yield |
|---|---|
| Multi-step reaction with 5 steps 1: 45 percent / AlCl3 / 2 h / 0 - 20 °C 2: 87 percent / LiAlH4 / diethyl ether / 1 h / Heating 3: 79 percent / POCl3, pyridine / 100 °C 4: 80 percent / H2 / 10percent Pd/C / ethyl acetate / 1 h 5: 67 percent / AlCl3 / CH2Cl2 / 0.25 h / Heating View Scheme |
- 108-88-3
toluene
- 153559-45-6
methyl 4-<(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl>benzoate
| Conditions | Yield |
|---|---|
| Multi-step reaction with 5 steps 1: 45 percent / AlCl3 / 2 h / 0 - 20 °C 2: 87 percent / LiAlH4 / diethyl ether / 1 h / Heating 3: 79 percent / POCl3, pyridine / 100 °C 4: 80 percent / H2 / 10percent Pd/C / ethyl acetate / 1 h 5: 67 percent / AlCl3 / CH2Cl2 / 0.25 h / Heating View Scheme |
- 167958-79-4
1,1,4,4,6-pentamethyl-1,4-dihydronaphthalene
- 153559-45-6
methyl 4-<(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl>benzoate
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 80 percent / H2 / 10percent Pd/C / ethyl acetate / 1 h 2: 67 percent / AlCl3 / CH2Cl2 / 0.25 h / Heating View Scheme |
- 167958-78-3
1,1,4,4,7-pentamethyl-2-hydroxy-1,2,3,4-tetrahydronaphthalene
- 153559-45-6
methyl 4-<(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl>benzoate
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: 79 percent / POCl3, pyridine / 100 °C 2: 80 percent / H2 / 10percent Pd/C / ethyl acetate / 1 h 3: 67 percent / AlCl3 / CH2Cl2 / 0.25 h / Heating View Scheme |
- 6223-78-5
2,5-dichloro-2,5-dimethyl hexane
- 153559-45-6
methyl 4-<(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl>benzoate
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 91 percent / AlCl3 / CH2Cl2 / 1.) RT, 30 min, 2.) reflux, 15 min 2: 72 percent / AlCl3 / CH2Cl2 / 0.25 h / Heating View Scheme |
Methyl 4-[(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl]benzoate Chemical Properties
Molecular Structure of Methyl 4-[(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl]benzoate (CAS NO.153559-45-6):
.gif)
Systematic Name: Methyl 4-[(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]benzoate
Molecular Formula: C24H28O3
Molecular Weight: 364.48
CAS Registry Number: 153559-45-6
H bond acceptors: 3
H bond donors: 0
Freely Rotating Bonds: 4
Index of Refraction: 1.538
Molar Refractivity: 108.073 cm3
Molar Volume: 345.374 cm3
Surface Tension: 38.759 dyne/cm
Density: 1.055 g/cm3
Flash Point: 203.311 °C
Enthalpy of Vaporization: 73.584 kJ/mol
Boiling Point: 472.829 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25 °C
SMILES: O=C(OC)c1ccc(cc1)C(=O)c2c(cc3c(c2)C(CCC3(C)C)(C)C)C
InChI: InChI=1/C24H28O3/c1-15-13-19-20(24(4,5)12-11-23(19,2)3)14-18(15)21(25)16-7-9-17(10-8-16)22(26)27-6/h7-10,13-14H,11-12H2,1-6H3
InChIKey: DYVLPJYIGJZAKF-UHFFFAOYAH
Methyl 4-[(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl]benzoate Specification
Methyl 4-[(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl]benzoate (CAS NO.153559-45-6), its Synonym is Benzoic acid,4-[(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl]-, methylester .
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