4-[4-[[2-(4-Chlorophenyl)-5,5-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]benzoic Acid

Product Name: 4-[4-[[2-(4-Chlorophenyl)-5,5-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]benzoic Acid
CAS No.: 1044598-91-5
Chemical Name: 4-[4-[[2-(4-Chlorophenyl)-5,5-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]benzoic Acid
Synonyms: EOS-62140;4-(4-((4'-chloro-4,4-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphe...;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-diMethylcyclohex-1-enyl)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-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
CBNumber: CB12507960
Molecular Formula: C26H31ClN2O2
Formula Weight: 438.99
MOL File: 1044598-91-5.mol

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4-[4-[[2-(4-Chlorophenyl)-5,5-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]benzoic Acid Property

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

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Hazard and Precautionary Statements (GHS)

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N-Bromosuccinimide Price

TRC

Product number: C377880
Product name: 4-[4-[[2-(4-Chlorophenyl)-5,5-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]benzoicAcid
Packaging: 100mg
Price: $500
Updated: 2021/12/16

TRC

Product number: C377880
Product name: 4-[4-[[2-(4-Chlorophenyl)-5,5-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]benzoicAcid
Packaging: 250mg
Price: $1110
Updated: 2021/12/16

AK Scientific

Product number: Z3836
Product name: 4-(4-((4'-Chloro-4,4-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazin-1-yl)benzoicacid
Packaging: 250mg
Price: $363
Updated: 2021/12/16

American Custom Chemicals Corporation

Product number: HCH0365188
Product name: 4-(4-((4'-CHLORO-4,4-DIMETHYL-3,4,5,6-TETRAHYDRO-[1,1'-BIPHENYL]-2-YL)METHYL)PIPERAZIN-1-YL)BENZOIC ACID
Purity: 95.00%
Packaging: 5MG
Price: $497.33
Updated: 2021/12/16

Matrix Scientific

Product number: 096113
Product name: 4-(4-((4'-Chloro-4,4-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazin-1-yl)benzoic acid
Purity: 95+%
Packaging: 250mg
Price: $1853
Updated: 2021/12/16

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4-[4-[[2-(4-Chlorophenyl)-5,5-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]benzoic Acid Chemical Properties,Usage,Production

Chemical Properties

Pale Pink Solid

Uses

Intermediate in the production of cell death regulators and apoptosis promoters.

Synthesis

1065604-70-7

1044598-91-5

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

4-[4-[[2-(4-Chlorophenyl)-5,5-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]benzoic Acid Preparation Products And Raw materials

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4-[4-[[2-(4-Chlorophenyl)-5,5-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]benzoic Acid Suppliers

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View Lastest Price from 4-[4-[[2-(4-Chlorophenyl)-5,5-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]benzoic Acid manufacturers

Dideu Industries Group Limited

Product: 4-[4-[[2-(4-Chlorophenyl)-5,5-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]benzoic Acid 1044598-91-5
Price: US $1.10/g
Min. Order: 1g
Purity: 99.00%
Supply Ability: 100 Tons
Release date: 2022-02-23

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1044598-91-5

C26H31ClN2O2

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