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| CAS No.: | 100643-71-8 |
|---|---|
| Name: | Desloratadine |
| Molecular Structure: | |
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| Formula: | C19H19ClN2 |
| Molecular Weight: | 310.826 |
| Synonyms: | Neoclarityn;Opulis;Sch 34117;5H-Benzo[5,6]cyclohepta[1,2-b]pyridine,8-chloro-6,11-dihydro-11-(4-piperidinylidene)-;8-Chloro-11-(4-piperidylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine;Aerius;Allex;Azomyr;Clarinex;Descarboethoxyloratadine;NSC675447;8-Chloro-6,11-dihydro-11-(4-piperdinylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine; |
| EINECS: | 638-878-8 |
| Density: | 1.221 g/cm3 |
| Melting Point: | 150-151 °C |
| Boiling Point: | 467.9 °C at 760 mmHg |
| Flash Point: | 236.8 °C |
| Solubility: | Freely soluble in methanol |
| Appearance: | Beige solid |
| Risk Codes: | R11 |
| PSA: | 24.92000 |
| LogP: | 4.34770 |

loratadine


descarboethoxyloratadine

| Conditions | Yield |
|---|---|
| In ethanol; water Reflux; Inert atmosphere; Alkaline conditions; | 98.5% |
| With C22H40N4(2+)*2BF4(1-) In toluene at 80℃; for 0.666667h; | 98.5% |
| With sodium hydroxide In ethanol; water at 100 - 105℃; for 5h; Concentration; Solvent; Time; Temperature; Autoclave; Inert atmosphere; Large scale; | 96% |


descarboethoxyloratadine

| Conditions | Yield |
|---|---|
| Stage #1: 8-chloro-6,11-dihydro-11-(4-piperidinylydene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine carbon dioxide adduct In ethanol for 1h; Heating / reflux; Stage #2: In methanol; acetone Heating / reflux; | 63% |

N-tert-butyl-3-methylpyridine-2-carboxamide


descarboethoxyloratadine

| Conditions | Yield |
|---|---|
| Multi-step reaction with 6 steps 1: 1.) n-BuLi / 1.) THF, -40 deg C 2: POCl3 / Heating 3: 2.) aq. HCl / 1.) THF, reflux 4: CF3SO3H / Heating 5: Et3N / toluene / Heating 6: aq. KOH / Heating View Scheme |

3-[2-(3-chlorophenyl)ethyl]-2-pyridine-carbonitrile


descarboethoxyloratadine

| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 1: 2.) aq. HCl / 1.) THF, reflux 2: CF3SO3H / Heating 3: Et3N / toluene / Heating 4: aq. KOH / Heating View Scheme |

3-<2-(3-chlorophenyl)ethyl>-N-(1,1-dimethylethyl)-2-pyridinecarboxamide


descarboethoxyloratadine

| Conditions | Yield |
|---|---|
| Multi-step reaction with 5 steps 1: POCl3 / Heating 2: 2.) aq. HCl / 1.) THF, reflux 3: CF3SO3H / Heating 4: Et3N / toluene / Heating 5: aq. KOH / Heating View Scheme |

{3-[2-(3-Chloro-phenyl)-ethyl]-pyridin-2-yl}-(1-methyl-piperidin-4-yl)-methanone


descarboethoxyloratadine

| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: CF3SO3H / Heating 2: Et3N / toluene / Heating 3: aq. KOH / Heating View Scheme |

1-Chloro-3-chloromethyl-benzene


descarboethoxyloratadine

| Conditions | Yield |
|---|---|
| Multi-step reaction with 6 steps 1: 1.) n-BuLi / 1.) THF, -40 deg C 2: POCl3 / Heating 3: 2.) aq. HCl / 1.) THF, reflux 4: CF3SO3H / Heating 5: Et3N / toluene / Heating 6: aq. KOH / Heating View Scheme |

N-methyldesloratadine


descarboethoxyloratadine

| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: Et3N / toluene / Heating 2: aq. KOH / Heating View Scheme | |
| With potassium hydroxide In ethanol; water | |
| With potassium hydroxide In ethanol; water | |
| Multi-step reaction with 2 steps 1: triethylamine / toluene / 3 h / Reflux 2: potassium hydroxide / ethanol / 6 h / Reflux View Scheme |

8-chloro-6,11-dihydro-11-(1-cyano-4-piperidylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine


descarboethoxyloratadine

| Conditions | Yield |
|---|---|
| In hydrogenchloride; water; acetic acid | 11.5 grams (93%) |


descarboethoxyloratadine

| Conditions | Yield |
|---|---|
| With potassium carbonate; pyrographite In chloroform; water for 0.5h; pH=~ 10 - 12; Product distribution / selectivity; | |
| Stage #1: 8-Chloro-6,11-dihydro-11-(4-piperidylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine acetic acid salt With pyrographite In water at 20℃; for 1h; Stage #2: With potassium carbonate In water at 65 - 70℃; for 6 - 12h; pH=10 - 12; Product distribution / selectivity; |
Molecular Structure of Desloratadine (CAS NO.100643-71-8):
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Systematic Name: 8-Chloro-11-(piperidin-4-ylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine
Molecular Weight: 310.82056 [g/mol]
Molecular Formula: C19H19ClN2
XLogP3: 4.5
H-Bond Donor: 1
H-Bond Acceptor: 2
Appearance: Beige Solid
Melting Point: 150-151 °C
storage temp.: 2-8 °C
Index of Refraction: 1.625
Molar Refractivity: 90.05 cm3
Molar Volume: 254.3 cm3
Surface Tension: 50 dyne/cm
Density: 1.221 g/cm3
Flash Point: 236.8 °C
Enthalpy of Vaporization: 73 kJ/mol
Boiling Point: 467.9 °C at 760 mmHg
Vapour Pressure: 6.25E-09 mmHg at 25 °C
Classification Code: Anti-allergic agents; Antihistamine; Antihistaminic; Cholinergic Agents; Cholinergic Antagonists; Histamine Agents; Histamine Antagonists; Histamine H1 Antagonists, Non-Sedating; Histamine H1 antagonists; Neurotransmitter Agents; Treatment of seasonal allergic rhinitis [H1 receptor antagonist]
Product Categories: Active Pharmaceutical Ingredients; Antihistaminic; Various Metabolites and Impurities; Intermediates & Fine Chemicals; Metabolites; Pharmaceuticals
Desloratadine (CAS NO.100643-71-8) is used as respiratory and anti-allergic drug to treat allergies and also can be as tablets and syrup to treat and release allergies.
Desloratadine (CAS NO.100643-71-8), its Synonyms are 8-Chloro-6,11-dihydro-11-(4-piperidinylidene)-5H-benzo(5,6)cyclohepta(1,2-b)pyridine ; Aerius ; Azomyr ; Clarinex ; Denosin ; Neoclarityn ; 5H-Benzo(5,6)cyclohepta(1,2-b)pyridine, 8-chloro-6,11-dihydro-11-(4-piperidinylidene)- .