- Rimonabant
- Rimonabant hydrochloride
- 168279-53-6Benzo[c]thiophene-1-carbonitrile,4,5,6,7-tetrahydro-3-(methylthio)-4-oxo-
- 168279-54-7Benzo[c]thiophene-1-carboxylic acid, 4,5,6,7-tetrahydro-3-(methylthio)-4-oxo-, ethyl ester
- 16828-01-6Butanedioic acid,2,3-dihydroxy- (2R,3R)-, ammonium sodium salt (1:1:1)
- 168280-46-41,3,5-Cyclohexanetricarbonitrile,(1α,3α,5α)-
- 16828-11-8Sulfuric acid, aluminium salt (3:2), hexadecahydrate
- 168286-10-0Bicyclo[3.1.1]heptan-2-ol,3-amino-2,6,6-trimethyl-, (1R,2R,3S,5R)-
- 168297-84-52-Oxazolidinone,5,5-dimethyl-4-phenyl-, (4S)-
- 168297-85-62-Oxazolidinone,5,5-dimethyl-4-(phenylmethyl)-, (4S)-
- 168300-88-7Fluorenylmethyloxycarbonyl)-S-(acetyl-aminomethyl)-L-cysteine
- 16830-15-2Asiaticoside
Hot Products
- 104987-11-3Tacrolimus
- 141-53-7Sodium formate
- 8001-54-5Quaternary ammonium compounds, alkylbenzyldimethyl, chlorides
- 9003-39-8Povidone
- 10161-34-9Trenbolone acetate
- 402957-28-2Telaprevir
- 68-19-9Cyanocobalamin
- 7631-86-9Silicon dioxide
- 302-79-4Tretinoin
- 77-92-9Citric acid
|
Basic Information |
|
Post buying leads |
|
Suppliers |
|
Cas Database |
| Name |
Rimonabant |
EINECS | N/A |
| CAS No. | 168273-06-1 | Density | 1.41 g/cm3 |
| PSA | 50.16000 | LogP | 6.26740 |
| Solubility | N/A | Melting Point |
230-240oC |
| Formula | C22H21Cl3N4O | Boiling Point | 627.6oC at 760 mmHg |
| Molecular Weight | 463.794 | Flash Point | 333.3oC |
| Transport Information | N/A | Appearance | White or almost white crystalline powder |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1-(2,4-Dichlorophenyl)-5-(4-chlorophenyl)-4-methyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide;5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxylicacid N-(piperidin-1-yl)amide;A 281;Acomplia;N-Piperidino-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide;SR 141716; |
Article Data | 35 |
Rimonabant Synthetic route
- 158681-13-1
rimonabant hydrochloride
- 168273-06-1
rimonabant
| Conditions | Yield |
|---|---|
| With methanol; potassium hydroxide; water at 0 - 5℃; for 1h; | 93% |
| With sodium hydroxide In methanol; water pH=8.5; | |
| With sodium hydroxide In methanol; water at 28 - 30℃; for 0.666667h; pH=11; |
- 2213-43-6
1-Aminopiperidine
- 158941-22-1
ethyl 1-(2,4-dichlorophenyl)-4-methyl-5-(4-chlorophenyl)-1H-pyrazole-3-carboxylate
- 168273-06-1
rimonabant
| Conditions | Yield |
|---|---|
| With trimethylaluminum In tetrahydrofuran; toluene at 125℃; for 0.0333333h; | 88% |
| magnesium chloride In acetonitrile for 2h; Product distribution / selectivity; Heating / reflux; | 83% |
| magnesium bromide In tetrahydrofuran for 2h; Product distribution / selectivity; Heating / reflux; | 81% |
- 168272-78-4
5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-methyl-1H-pyrazole-3-carboxylic acid methyl ester
- 2213-43-6
1-Aminopiperidine
- 168273-06-1
rimonabant
| Conditions | Yield |
|---|---|
| magnesium chloride In tetrahydrofuran for 2h; Product distribution / selectivity; Heating / reflux; | 82% |
| magnesium chloride In acetonitrile for 2h; Product distribution / selectivity; Heating / reflux; | 80% |
| magnesium bromide In tetrahydrofuran for 2h; Product distribution / selectivity; Heating / reflux; | 79% |
- 2213-43-6
1-Aminopiperidine
- 168273-05-0
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carbonyl chloride
- 168273-06-1
rimonabant
| Conditions | Yield |
|---|---|
| With triethylamine In dichloromethane at 20℃; for 12h; | 79% |
| With triethylamine In dichloromethane at 20℃; for 1.5h; Substitution; | 66% |
| With triethylamine Yield given; |
- 1030616-35-3
phenyl 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxylate
- 2213-43-6
1-Aminopiperidine
- 168273-06-1
rimonabant
| Conditions | Yield |
|---|---|
| magnesium chloride In acetonitrile for 2h; Product distribution / selectivity; Heating / reflux; | 77% |
| magnesium chloride In acetonitrile at 80℃; for 2 - 4h; Product distribution / selectivity; |
- 63234-70-8
N-aminopiperidine hydrochloride
- 158941-22-1
ethyl 1-(2,4-dichlorophenyl)-4-methyl-5-(4-chlorophenyl)-1H-pyrazole-3-carboxylate
- 168273-06-1
rimonabant
| Conditions | Yield |
|---|---|
| With triethylamine; magnesium chloride In acetonitrile for 4h; Product distribution / selectivity; Heating / reflux; | 77% |
| Stage #1: N-aminopiperidine hydrochloride With potassium tert-butylate In acetonitrile at 20℃; for 0.5h; Stage #2: ethyl 1-(2,4-dichlorophenyl)-4-methyl-5-(4-chlorophenyl)-1H-pyrazole-3-carboxylate; magnesium chloride In acetonitrile for 4h; Product distribution / selectivity; Heating / reflux; | 61% |
- 1030616-37-5
N-aminopiperidine hydrogen sulphate
- 158941-22-1
ethyl 1-(2,4-dichlorophenyl)-4-methyl-5-(4-chlorophenyl)-1H-pyrazole-3-carboxylate
- 168273-06-1
rimonabant
| Conditions | Yield |
|---|---|
| With triethylamine; magnesium chloride In acetonitrile for 4h; Product distribution / selectivity; Heating / reflux; | 77% |
| Conditions | Yield |
|---|---|
| Stage #1: rimonabant acid With benzotriazol-1-ol In dichloromethane for 0.166667h; Stage #2: With dicyclohexyl-carbodiimide In dichloromethane at 25℃; Stage #3: 1-Aminopiperidine Further stages; | 72% |
| With O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; for 72h; | 68% |
| Stage #1: rimonabant acid With thionyl chloride In methyl cyclohexane at 83℃; for 3h; Heating / reflux; Stage #2: With triethylamine In tetrahydrofuran; methyl cyclohexane at 12 - 20℃; for 0.25h; Stage #3: 1-Aminopiperidine With triethylamine In tetrahydrofuran; methyl cyclohexane at 12 - 20℃; Product distribution / selectivity; | |
| With 1,1'-carbonyldiimidazole In tetrahydrofuran at 65 - 70℃; for 2.33333h; Product distribution / selectivity; | |
| With boric acid In toluene at 29 - 112℃; for 12.83h; Product distribution / selectivity; |
- 1040405-33-1
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid(2,6-benzotriazolyl-piperidin-1-yl)amide
- 168273-06-1
rimonabant
| Conditions | Yield |
|---|---|
| With sodium tetrahydroborate In tetrahydrofuran at 20℃; | 46% |
- 2213-43-6
1-Aminopiperidine
- 168273-05-0
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carbonyl chloride
A
- 168273-06-1
rimonabant
| Conditions | Yield |
|---|---|
| With triethylamine In dichloromethane at 20℃; for 2h; | A 11.5 g B 645 mg |
Rimonabant Specification
The 1H-Pyrazole-3-carboxamide,5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-1-piperidinyl- is an organic compound with the formula C22H21Cl3N4O. The IUPAC name of this chemical is 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide. With the CAS registry number 168273-06-1, it is also named as Rimonabant. The product's category is Weight Loss.
Physical properties about 1H-Pyrazole-3-carboxamide,5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-1-piperidinyl- are: (1)ACD/LogP: 6.14; (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): 27061.6; (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)Index of Refraction: 1.668; (14)Molar Refractivity: 122.23 cm3; (15)Molar Volume: 327.8 cm3; (16)Polarizability: 48.45×10-24cm3; (17)Surface Tension: 51.2 dyne/cm; (18)Density: 1.41 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NN1CCCCC1)c4nn(c2ccc(Cl)cc2Cl)c(c3ccc(Cl)cc3)c4C
(2)InChI: InChI=1/C22H21Cl3N4O/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)
(3)InChIKey: JZCPYUJPEARBJL-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C22H21Cl3N4O/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)
(5)Std. InChIKey: JZCPYUJPEARBJL-UHFFFAOYSA-N
What can I do for you?
Get Best Price
