1-[bis(4-fluorophenyl)methyl]-4-[(2E)-3-phenylprop-2-en-1-yl]piperazine dihydrochloride

Base Information

• Chemical Name: 1-[bis(4-fluorophenyl)methyl]-4-[(2E)-3-phenylprop-2-en-1-yl]piperazine dihydrochloride
• CAS No.: 30484-77-6
• Molecular Formula: C₂₆H₂₆F₂N₂*2ClH
• Molecular Weight: 477.425
• Hs Code.: 2933599090
• NSC Number: 757807
• ChEMBL ID: CHEMBL539027
• Mol file: 30484-77-6.mol

Synonyms:MLS000069375;SMR000058381;CHEMBL539027;1-[bis(4-fluorophenyl)methyl]-4-[(2E)-3-phenylprop-2-en-1-yl]piperazine dihydrochloride;1-[Bis(4-fluorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine;hydrochloride;Opera_ID_340;MLS001076287;MLS001333199;MLS001333200;MLS002207098;MLS002222185;MLS006010070;SCHEMBL120168;SCHEMBL120169;REGID_for_CID_6365505;Pharmakon1600-01500993;NSC757807;NCGC00180879-01;NCGC00180879-02;Piperazine, 1-[bis(4-fluorophenyl)methyl]-4-[(2E)-3-phenyl-2-propen-1-yl]-, hydrochloride (1:2)

Chemical Property of 1-[bis(4-fluorophenyl)methyl]-4-[(2E)-3-phenylprop-2-en-1-yl]piperazine dihydrochloride

Chemical Property:

• Appearance/Colour: White solid
• Vapor Pressure: 1.43E-10mmHg at 25°C
• Melting Point: 188-190 °C
• Boiling Point: 511.3 °C at 760 mmHg
• Flash Point: 263 °C
• PSA: 6.48000
• LogP: 6.86500
• Storage Temp.: 2-8°C
• Solubility.: chloroform/methanol (9:1): 50 mg/mL, clear, colorless
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 440.1830829
• Heavy Atom Count: 31
• Complexity: 487

Purity/Quality:

99% ^*data from raw suppliers

Flunarizine-d8 Dihydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CN(CCN1CC=CC2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F.Cl
• Isomeric SMILES: C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F.Cl
• Uses: Flunarizine dihydrochloride has been used to study the effect of flunarizine on epileptiform activity. It is also used to study its effect on high-potassium induced increase of intracellular free calcium. antipsychotic, H1 antihistamine Calcium channel blocker; fluorinated derivative of Cinnarizine. Vasodilator (cerebral and peripheral). This is the labeled analog.
• Therapeutic Function: Vasodilator

Technology Process of 1-[bis(4-fluorophenyl)methyl]-4-[(2E)-3-phenylprop-2-en-1-yl]piperazine dihydrochloride

There total 3 articles about 1-[bis(4-fluorophenyl)methyl]-4-[(2E)-3-phenylprop-2-en-1-yl]piperazine dihydrochloride which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

4,4'-difluorobenzhydryl alcohol (365-24-2) → 1-[bis(4-fluorophenyl)methyl]-4-cinnamylpiperazine dihydrochloride (27064-95-5,30484-77-6,53114-47-9,106448-37-7)

Guidance literature:

Multi-step reaction with 3 steps

1: oxalyl dichloride / dichloromethane; N,N-dimethyl-formamide

2: acetonitrile

3: potassium carbonate / N,N-dimethyl-formamide

With oxalyl dichloride; potassium carbonate; In dichloromethane; N,N-dimethyl-formamide; acetonitrile;

DOI:10.1124/mol.114.095471

Reference yield:

4,4'-difluorobenzhydryl chloride (27064-94-4) → 1-[bis(4-fluorophenyl)methyl]-4-cinnamylpiperazine dihydrochloride (27064-95-5,30484-77-6,53114-47-9,106448-37-7)

Guidance literature:

Multi-step reaction with 2 steps

1: acetonitrile

2: potassium carbonate / N,N-dimethyl-formamide

With potassium carbonate; In N,N-dimethyl-formamide; acetonitrile;

DOI:10.1124/mol.114.095471

Reference yield:

1-(4-fluorophenyl)methyl-piperazine (27469-60-9) + 3-bromo-1-phenyl-1-propenyl bromide (4392-24-9) → 1-[bis(4-fluorophenyl)methyl]-4-cinnamylpiperazine dihydrochloride (27064-95-5,30484-77-6,53114-47-9,106448-37-7)

Guidance literature:

1-(4-fluorophenyl)methyl-piperazine; 3-bromo-1-phenyl-1-propenyl bromide; With potassium carbonate; In N,N-dimethyl-formamide;

With hydrogenchloride; In diethyl ether; N,N-dimethyl-formamide;

DOI:10.1124/mol.114.095471

upstream raw materials:

1-(4-fluorophenyl)methyl-piperazine

3-bromo-1-phenyl-1-propenyl bromide

4,4'-difluorobenzhydryl alcohol

4,4'-difluorobenzhydryl chloride

Refernces