Anisopirol

Base Information

Chemical Name:Anisopirol
CAS No.:857-62-5
Deprecated CAS:442-03-5
Molecular Formula:C21H27FN2O2
Molecular Weight:358.456
Hs Code.:
NSC Number:167758
UNII:162A01WTAJ
DSSTox Substance ID:DTXSID20861938
Nikkaji Number:J69.043K
Wikidata:Q27251767
NCI Thesaurus Code:C74174
ChEMBL ID:CHEMBL104515

Synonyms:Anisopirol;Haloisol;Anisopirol [INN];Anisopirolum;Amisopirol;857-62-5;R 2159;NSC 167758;NSC-167758;BRN 0711238;UNII-162A01WTAJ;162A01WTAJ;CHEMBL104515;1-Piperazinebutanol, alpha-(4-fluorophenyl)-4-(2-methoxyphenyl)-;1-Piperazinebutanol, beta-(p-fluorophenyl)-4-(o-methoxyphenyl)-, (+-)-;dl-1-(4-Fluorophenyl)-4-(1-(4-(2-methoxyphenyl))piperazinyl)butanol;1-(4-p-Fluorophenyl-4-hydroxybutyl)-4-o-methoxy-phenylpiperazine;1-Piperazinebutanol, beta-(4-fluorophenyl)-4-(2-methoxyphenyl)-;(+-)-beta-(p-Fluorophenyl)-4-(o-methoxyphenyl)-1-piperazinebutanol;alpha-(3-(4-(o-Methoxyphenyl)-1-piperazinyl)propyl)-p-fluorobenzyl alcohol;R-2159;13382-33-7;5-23-02-00063 (Beilstein Handbook Reference);1-Piperazinebutanol, alpha-(p-fluorophenyl)-4-(o-methoxyphenyl)-;( -)-beta-(p-Fluorophenyl)-4-(o-methoxyphenyl)-1-piperazinebutanol;C21-H27-F-N2-O2;BENZYL ALCOHOL, alpha-(3-(4-(o-METHOXYPHENYL)-1-PIPERAZINYL)PROPYL)-p-FLUORO-;SCHEMBL2111067;C21H27FN2O2;DTXSID20861938;1-(4-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-ol;BDBM50056039;NSC167758;AKOS040746572;442-03-5;LS-43077;LS-110564;Q27251767;1-(4-Fluoro-phenyl)-4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butan-1-ol;1-(4-Fluorophenyl)-4-[4-(2-methoxyphenyl)-1-piperazinyl]-1-butanol;4-Fluoro-alpha-[3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl]benzyl alcohol;(+/-)-.ALPHA.-(P-FLUOROPHENYL-4-(O-METHOXYPHENYL)-1-PIPERAZINEBUTANOL;1-Piperazinebutanol, .alpha.-(4-fluorophenyl)-4-(2-methoxyphenyl)-, (.+.)-;1-Piperazinebutanol, .alpha.-(p-fluorophenyl)-4-(o-methoxyphenyl)-, (.+.)-;1-Piperazinebutanol, .beta.-(4-fluorophenyl)-4-(2-methoxyphenyl)-, (.+.)-;1-Piperazinebutanol, .beta.-(p-fluorophenyl)-4-(o-methoxyphenyl)-, (.+.)-

Suppliers and Price of Anisopirol

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 5 raw suppliers

Chemical Property of Anisopirol

Chemical Property:

XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:358.20565627
Heavy Atom Count:26
Complexity:396

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=CC=CC=C1N2CCN(CC2)CCCC(C3=CC=C(C=C3)F)O

Technology Process of Anisopirol

There total 7 articles about Anisopirol 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: 90.0%

: 1402042-57-2
1-[4-(benzyloxy)-4-(4-fluorophenyl)-butyl]-4-(2-methoxyphenyl)piperazine

: 857-62-5,442-03-5
Anisopirol

Guidance literature:: With 10% Pd/C; hydrogen; In methanol; at 20 ℃; for 10h;
DOI:10.1002/jhet.872

Reference yield:

: 459-57-4
4-fluorobenzaldehyde

: 857-62-5,442-03-5
Anisopirol

Guidance literature:: Multi-step reaction with 6 steps

1.1: zinc / tetrahydrofuran / 0.17 - 0.25 h / 20 °C

1.2: 3 h / 0 °C

2.1: potassium carbonate; tetra-(n-butyl)ammonium iodide / acetonitrile / 5 h / Reflux

3.1: dimethylsulfide borane complex / tetrahydrofuran / 1.5 h / 0 - 20 °C

3.2: 1 h / 0 °C

4.1: pyridinium chlorochromate / dichloromethane / 2 h / 20 °C

5.1: acetic acid / methanol / 1 h / 0 - 20 °C

5.2: 3 h / 0 - 20 °C

6.1: 10% Pd/C; hydrogen / methanol / 10 h / 20 °C

With dimethylsulfide borane complex; 10% Pd/C; hydrogen; tetra-(n-butyl)ammonium iodide; potassium carbonate; acetic acid; pyridinium chlorochromate; zinc; In tetrahydrofuran; methanol; dichloromethane; acetonitrile;
DOI:10.1002/jhet.872

Reference yield:

: 86718-78-7,136185-86-9
1-(4-fluorophenyl)-3-buten-1-ol

: 857-62-5,442-03-5
Anisopirol

Guidance literature:: Multi-step reaction with 5 steps

1.1: potassium carbonate; tetra-(n-butyl)ammonium iodide / acetonitrile / 5 h / Reflux

2.1: dimethylsulfide borane complex / tetrahydrofuran / 1.5 h / 0 - 20 °C

2.2: 1 h / 0 °C

3.1: pyridinium chlorochromate / dichloromethane / 2 h / 20 °C

4.1: acetic acid / methanol / 1 h / 0 - 20 °C

4.2: 3 h / 0 - 20 °C

5.1: 10% Pd/C; hydrogen / methanol / 10 h / 20 °C

With dimethylsulfide borane complex; 10% Pd/C; hydrogen; tetra-(n-butyl)ammonium iodide; potassium carbonate; acetic acid; pyridinium chlorochromate; In tetrahydrofuran; methanol; dichloromethane; acetonitrile;
DOI:10.1002/jhet.872