| Identification | Back Directory | [Name]
4-[4-[[2-(4-Chlorophenyl)-5,5-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]benzoic Acid | [CAS]
1044598-91-5 | [Synonyms]
EOS-62140
4-[4-[[2-(4-Chlorophenyl)-5,5-diMethyl-1-cyclohexenyl]Methyl]-1-
3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazin-1-yl)benzoic acid
4-[4-[[2-(4-Chlorophenyl)-5,5-dimethyl-1-cyclohexenyl]methyl]-1-piperazinyl]benzoic acid
4-(4-((2-(4-Chlorophenyl)-5,5-diMethylcyclohex-1-enyl)Methyl)piperazin-1-yl)benzoic acid
4-(4-{[2-(4-chlorophenyl)-5,5-diMethylcyclohex-1-en-1-yl]Methyl}piperazin-1-yl)benzoic acid
4-[4-[[2-(4-Chlorophenyl)-5,5-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]benzoic Acid
Benzoic acid, 4-[4-[[2-(4-chlorophenyl)-5,5-diMethyl-1-cyclohexen-1-yl]Methyl]-1-piperazinyl]-
4-(4-((4'-Chloro-4,4-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazin-1-yl)be
4-(4-((4'-Chloro-4,4-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazin-1-yl)benzo
4-(4-((4'-CHLORO-4,4-DIMETHYL-3,4,5,6-TETRAHYDRO-[1,1'-BIPHENYL]-2-YL)METHYL)PIPERAZIN-1-YL)BENZOIC
4-(4-((4'-Chloro-4,4-diMethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)Methyl)piperazin-1-yl)benzoic acid
4-[4-[[2-(4-Chlorophenyl)-5,5-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]benzoic Acid ISO 9001：2015 REACH | [Molecular Formula]
C26H31ClN2O2 | [MDL Number]
MFCD16251302 | [MOL File]
1044598-91-5.mol | [Molecular Weight]
438.99 |
| Chemical Properties | Back Directory | [Melting point ]
191-193°C | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
DMSO, Methanol | [form ]
Solid | [color ]
Pale Pink | [InChI]
InChI=1S/C26H31ClN2O2/c1-26(2)12-11-24(19-3-7-22(27)8-4-19)21(17-26)18-28-13-15-29(16-14-28)23-9-5-20(6-10-23)25(30)31/h3-10H,11-18H2,1-2H3,(H,30,31) | [InChIKey]
JBZBOOYFIKNESP-UHFFFAOYSA-N | [SMILES]
C(O)(=O)C1=CC=C(N2CCN(CC3CC(C)(C)CCC=3C3=CC=C(Cl)C=C3)CC2)C=C1 |
| Hazard Information | Back Directory | [Chemical Properties]
Pale Pink Solid | [Uses]
Intermediate in the production of cell death regulators and apoptosis promoters. | [Synthesis]
Step E: Synthesis of 3.7: NaOH (19.70 g, 492.48 mmol) was dissolved in a mixed solvent of H2O (300.00 mL) and MeOH (100.00 mL), followed by the addition of 3.6 (57.50 g, 123.12 mmol) in a solution of THF (600.00 mL). The reaction mixture was stirred at room temperature and heated at 80°C for 1 hour. After completion of the reaction, the excess solvent was removed by concentration under reduced pressure and the residue was poured into ice water (1 L). The pH of the mixture was adjusted to 5-6 with acid, at which point a white solid precipitated. The solid was collected by filtration and dried to give 3.7 (50.00 g, 113.90 mmol, 93% yield). The product was analyzed by mass spectrometry (ESI) showing m/z = 439 [M + H]+. 1H NMR (400 MHz, DMSO-d6) data were as follows: δ 10.63 (br, 1H), 7.75 (d, 2H, J = 8.8 Hz), 7.38 (d, 2H, J = 8.4 Hz), 7.12 (d, 2H, J = 8.0 Hz, Ph) 6.91 (m, 2H, J = 8.8 Hz), 3.84 (m, 2H), 3.58 (m, 2H), 3.39 (m, 2H), 2.78 (m, 2H), 2.28 (m, 2H), 2.21 (m, 2H), 1.47 (m, 2H), 1.00 (s, 6H). | [References]
[1] Patent: WO2017/101851, 2017, A1. Location in patent: Paragraph 0140; 0147
[2] Journal of Medicinal Chemistry, 2008, vol. 51, # 21, p. 6902 - 6915
[3] Patent: US2009/318689, 2009, A1. Location in patent: Page/Page column 32-33
[4] Patent: WO2017/123616, 2017, A1. Location in patent: Paragraph 00150 |
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| Company Name: |
J & K SCIENTIFIC LTD.
|
| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Heterochem
|
| Telephone: |
027-88041443 13072715837 |
| Website: |
www.hetero-chem.com |
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