Products Categories
| CAS No.: | 158681-13-1 |
|---|---|
| Name: | Rimonabant hydrochloride |
| Article Data: | 12 |
| Molecular Structure: | |
|
|
|
| Formula: | C22H21Cl3N4O.HCl |
| Molecular Weight: | 500.255 |
| Synonyms: | 1H-Pyrazole-3-carboxamide,5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-1-piperidinyl-,monohydrochloride (9CI);5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(1-piperidinyl)-1H-pyrazole-3-carboxamide hydrochloride (1:1);Ribafit;Riomont;N-(Piperidin-1-yl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxamide hydrochloride;5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-1-piperidinyl-1H-pyrazole-3-carboxamide monohydrochloride; |
| EINECS: | 233-720-0 |
| Melting Point: | 230-240 °C |
| Boiling Point: | 627.6 °C at 760 mmHg |
| Flash Point: | 333.3 °C |
| Appearance: | White to Off-White Crystalline Solid |
| Hazard Symbols: | T,Xi |
| Risk Codes: | 25-36 |
| Safety: | 26-45 |
| PSA: | 50.16000 |
| LogP: | 7.06940 |
- 483366-12-7(2S,4R)-1-Boc-2-cyano-4-hydroxypyrrolidine
- 173606-50-3BOC-10-AMINODECANOIC ACID
- 361456-36-2METHYL (R)-(+)-ISOCYANATO-3-PHENYLPROPI&
- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
- 81281-59-67-Benzylideneaminotheophylline
- 50288-62-5threo-Phenyl-2-piperidyl acetamide
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 47087-37-6Z-D-Glu-OMe
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 211914-50-0N-[[2-[[[4-(Aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-(2-pyridinyl)-beta-alanine ethyl ester hydrochloride
- 63234-70-8
N-aminopiperidine hydrochloride
- 162758-35-2
rimonabant acid
- 168273-06-1
rimonabant
- 158681-13-1
rimonabant hydrochloride
| Conditions | Yield |
|---|---|
| Stage #1: rimonabant acid With 1,1'-carbonyldiimidazole In tetrahydrofuran at 20℃; for 6h; Stage #2: N-aminopiperidine hydrochloride With triethylamine In tetrahydrofuran at 60℃; for 1.5h; Stage #3: rimonabant With hydrogenchloride | 92.7% |
- 2213-43-6
1-Aminopiperidine
- 168273-05-0
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carbonyl chloride
- 158681-13-1
rimonabant hydrochloride
| Conditions | Yield |
|---|---|
| Stage #1: 1-Aminopiperidine; 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carbonyl chloride With sodium hydroxide; tetrabutylammomium bromide In dichloromethane; water at 10 - 25℃; for 2 - 3.5h; Stage #2: With hydrogenchloride In water; acetone at 20 - 25℃; for 0.5h; | |
| Stage #1: 1-Aminopiperidine; 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carbonyl chloride With triethylamine In dichloromethane at 10 - 20℃; for 1h; Stage #2: With hydrogenchloride pH=1; | 33 g |
| Multi-step reaction with 2 steps 1: triethylamine / dichloromethane / 3 h / 0 - 20 °C 2: hydrogenchloride / diethyl ether / pH 1 View Scheme | |
| With TEA In dichloromethane at 0 - 20℃; for 0.5h; |
- 168273-06-1
rimonabant
- 158681-13-1
rimonabant hydrochloride
| Conditions | Yield |
|---|---|
| With hydrogenchloride In methanol; water at 20℃; | |
| With hydrogenchloride In water; acetone at 0 - 55℃; for 0.25 - 1.25h; Product distribution / selectivity; | |
| With hydrogenchloride In methanol; butyl methyl ether at 20℃; for 2h; pH=1.0; |
- 6285-05-8
4'-chloropropiophenone
- 158681-13-1
rimonabant hydrochloride
| Conditions | Yield |
|---|---|
| Multi-step reaction with 6 steps 1.1: triethylamine; methyl iodide / acetonitrile / 24 h / 20 - 45 °C / Inert atmosphere 2.1: tetrahydrofuran / 5 h / 10 - 20 °C 3.1: triethylamine / toluene / 12 h / 20 °C 4.1: toluene-4-sulfonic acid / toluene / 12 h / Reflux 5.1: oxalyl dichloride / dichloromethane; N,N-dimethyl-formamide / 2 h / 20 °C / Cooling with ice 6.1: triethylamine / dichloromethane / 1 h / 10 - 20 °C 6.2: pH 1 View Scheme |
- 158681-13-1
rimonabant hydrochloride
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1.1: toluene-4-sulfonic acid / toluene / 12 h / Reflux 2.1: oxalyl dichloride / dichloromethane; N,N-dimethyl-formamide / 2 h / 20 °C / Cooling with ice 3.1: triethylamine / dichloromethane / 1 h / 10 - 20 °C 3.2: pH 1 View Scheme |
- 5446-18-4
2,4-dichlorophenyl hydrazine hydrochloride
- 158681-13-1
rimonabant hydrochloride
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 1.1: triethylamine / toluene / 12 h / 20 °C 2.1: toluene-4-sulfonic acid / toluene / 12 h / Reflux 3.1: oxalyl dichloride / dichloromethane; N,N-dimethyl-formamide / 2 h / 20 °C / Cooling with ice 4.1: triethylamine / dichloromethane / 1 h / 10 - 20 °C 4.2: pH 1 View Scheme | |
| Multi-step reaction with 3 steps 2.1: propionic acid / 16 h / Heating / reflux 2.2: 20 h / 140 - 145 °C 3.1: hydrogenchloride / water; isopropyl alcohol / 9.08 h / 10 - 20 °C View Scheme |
- 158681-13-1
rimonabant hydrochloride
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 1.1: triethylamine / toluene / 12 h / 20 °C 2.1: toluene-4-sulfonic acid / toluene / 12 h / Reflux 3.1: oxalyl dichloride / dichloromethane; N,N-dimethyl-formamide / 2 h / 20 °C / Cooling with ice 4.1: triethylamine / dichloromethane / 1 h / 10 - 20 °C 4.2: pH 1 View Scheme |
- 158681-13-1
rimonabant hydrochloride
| Conditions | Yield |
|---|---|
| Multi-step reaction with 5 steps 1.1: tetrahydrofuran / 5 h / 10 - 20 °C 2.1: triethylamine / toluene / 12 h / 20 °C 3.1: toluene-4-sulfonic acid / toluene / 12 h / Reflux 4.1: oxalyl dichloride / dichloromethane; N,N-dimethyl-formamide / 2 h / 20 °C / Cooling with ice 5.1: triethylamine / dichloromethane / 1 h / 10 - 20 °C 5.2: pH 1 View Scheme |
- 169544-41-6
4-(4-chlorophenyl)-3-methyl-2,4-dioxobutyric acid ethyl ester
- 158681-13-1
rimonabant hydrochloride
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 2.1: propionic acid / 16 h / Heating / reflux 2.2: 20 h / 140 - 145 °C 3.1: hydrogenchloride / water; isopropyl alcohol / 9.08 h / 10 - 20 °C View Scheme |
- 162758-35-2
rimonabant acid
- 158681-13-1
rimonabant hydrochloride
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: thionyl chloride / toluene / 3 h / Heating / reflux 2: triethylamine / dichloromethane / 3 h / 0 - 20 °C 3: hydrogenchloride / diethyl ether / pH 1 View Scheme |
What can I do for you?
Get Best Price
Specification
The Rimonabant hydrochloride, with the CAS registry number 158681-13-1, is also known as 1H-Pyrazole-3-carboxamide,5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-1-piperidinyl-,hydrochloride (1:1). It belongs to the product categories of API; Cnbio; Inhibitors; Intermediates & Fine Chemicals; Pharmaceuticals; Aromatics; Heterocycles. This chemical's molecular formula is C22H21Cl3N4O.HCl and molecular weight is 500.25. What's more, its systematic name is 5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(1-piperidinyl)-1H-pyrazole-3-carboxamide hydrochloride (1:1). Its classification code is Anti-Obesity Agents. This chemical is a potent & selective antagonist of the brain cannabinoid receptor.
Physical properties of Rimonabant hydrochloride are: (1)ACD/LogP: 6.138; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.14; (4)ACD/LogD (pH 7.4): 6.14; (5)ACD/BCF (pH 5.5): 27061.60; (6)ACD/BCF (pH 7.4): 27198.54; (7)ACD/KOC (pH 5.5): 51715.72; (8)ACD/KOC (pH 7.4): 51977.41; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 41.37 Å2; (13)Flash Point: 333.3 °C; (14)Enthalpy of Vaporization: 94.57 kJ/mol; (15)Boiling Point: 627.6 °C at 760 mmHg; (16)Vapour Pressure: 5.29E-16 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NN1CCCCC1)c4nn(c2ccc(Cl)cc2Cl)c(c3ccc(Cl)cc3)c4C.Cl
(2)Std. InChI: InChI=1S/C22H21Cl3N4O.ClH/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15;/h5-10,13H,2-4,11-12H2,1H3,(H,27,30);1H
(3)Std. InChIKey: REOYOKXLUFHOBV-UHFFFAOYSA-N