Buclizine

Base Information

• Chemical Name: Buclizine
• CAS No.: 82-95-1
• Molecular Formula: C28H33 Cl N2
• Molecular Weight: 433.036
• Hs Code.: 2933599090
• European Community (EC) Number: 201-448-1
• UNII: UFN4445AF2,1178B2VD9B,0C94V6X681
• DSSTox Substance ID: DTXSID0022694
• Nikkaji Number: J4.623J
• Wikipedia: Buclizine
• Wikidata: Q4859329
• NCI Thesaurus Code: C65273
• Pharos Ligand ID: 5ADLGB71DN9B
• Metabolomics Workbench ID: 42728
• ChEMBL ID: CHEMBL1201271
• Mol file: 82-95-1.mol

Synonyms:1-((4-chlorophenyl)phenylmethyl)-4-((4-(1,1-dimethylethyl)phenyl)methyl)piperazine;Aphilan;Bucladin-S;buclizine;buclizine dihydrochloride;buclizine hydrochloride;Softran

Chemical Property of Buclizine

Chemical Property:

• Refractive Index: 1.5940 (estimate)
• Boiling Point: bp0.001 217-220°
• PSA: 6.48000
• Density: 0.9970 (rough estimate)
• LogP: 6.42050
• XLogP3: 7.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 432.2332268
• Heavy Atom Count: 31
• Complexity: 514

Purity/Quality:

99%, ^*data from raw suppliers

Buclizine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl
• Uses: Buclizine is an antinauseant.

Technology Process of Buclizine

There total 7 articles about Buclizine 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: 100.0%

sodium (4-(t-butyl)phenyl)(hydroxy)methanesulfonate + N-(4-chlorobenzhydryl)piperazine (303-26-4) → Buclifen (82-95-1)

Guidance literature:

With 2-picoline borane complex; In methanol; water; at 60 ℃; for 6h; Sealed tube; Inert atmosphere;

DOI:10.1021/acs.orglett.1c02604

Reference yield: 55.0%

p-tert-butylbenzyl alcohol (877-65-6) + N-(4-chlorobenzhydryl)piperazine (303-26-4) → Buclifen (82-95-1)

Guidance literature:

With aluminum (III) chloride; water; In acetonitrile; at 20 ℃; Irradiation;

DOI:10.1002/cssc.202002459

Reference yield:

buclizine dihydrochloride (129-74-8) → Buclifen (82-95-1)

Guidance literature:

With sodium hydroxide; In ethanol; water; at 25 ℃; pH=5.8;

DOI:10.1016/j.ijpharm.2020.119840

upstream raw materials:

1-(4-tert-butylbenzyl)piperazine

4-chlorobenzaldehyde

buclizine dihydrochloride

p-tert-butylbenzyl alcohol

Refernces

• 1、 Xu, Yangsen,Zhang, Zhaofei,Qiu, Chuntian,Chen, Shaoqin,Ling, Xiang,Su, Chenliang. "Photocatalytic Water-Splitting Coupled with Alkanol Oxidation for Selective N-alkylation Reactions over Carbon Nitride". . p. 582 - 589. Retrieved 2020/12/09.