3,4-Piperidinediol, 1,3-dimethyl-4-ethynyl-6-(4-fluorophenyl)-, (3-alpha,4-beta,6-beta)-

Base Information

Chemical Name:3,4-Piperidinediol, 1,3-dimethyl-4-ethynyl-6-(4-fluorophenyl)-, (3-alpha,4-beta,6-beta)-
CAS No.:120729-81-9
Molecular Formula:C₁₅H₁₈FNO₂
Molecular Weight:263.312
Hs Code.:
DSSTox Substance ID:DTXSID60923549
Wikidata:Q76279511
Mol file:120729-81-9.mol

Synonyms:3,4-Piperidinediol, 1,3-dimethyl-4-ethynyl-6-(4-fluorophenyl)-, (3-alpha,4-beta,6-beta)-;(3-alpha,4-beta,6-beta)-1,3-Dimethyl-4-ethynyl-6-(4-fluorophenyl)-3,4-piperidinediol;120729-81-9;C15-H18-F-N-O2;DTXSID60923549;LS-115163;4-Ethynyl-6-(4-fluorophenyl)-1,3-dimethylpiperidine-3,4-diol

Suppliers and Price of 3,4-Piperidinediol, 1,3-dimethyl-4-ethynyl-6-(4-fluorophenyl)-, (3-alpha,4-beta,6-beta)-

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 0 raw suppliers

Chemical Property of 3,4-Piperidinediol, 1,3-dimethyl-4-ethynyl-6-(4-fluorophenyl)-, (3-alpha,4-beta,6-beta)-

Chemical Property:

Vapor Pressure:7.89E-06mmHg at 25°C
Boiling Point:360.6°C at 760 mmHg
Flash Point:171.9°C
Density:1.24g/cm³
XLogP3:0.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:263.13215698
Heavy Atom Count:19
Complexity:385

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(CN(C(CC1(C#C)O)C2=CC=C(C=C2)F)C)O
Isomeric SMILES:C[C@@]1(CN([C@@H](C[C@]1(C#C)O)C2=CC=C(C=C2)F)C)O

Technology Process of 3,4-Piperidinediol, 1,3-dimethyl-4-ethynyl-6-(4-fluorophenyl)-, (3-alpha,4-beta,6-beta)-

There total 4 articles about 3,4-Piperidinediol, 1,3-dimethyl-4-ethynyl-6-(4-fluorophenyl)-, (3-alpha,4-beta,6-beta)- 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: 98.0%

: 36106-54-4,60054-02-6,103021-98-3
3a-hydroxy-1e,3e-dimethyl-6e-(4-fluorophenyl)-4-piperidone

: 4301-14-8
acetylenemagnesium bromide

: 120729-81-9,121368-78-3
3a,4a-dihydroxy-1e,3e-dimethyl-6e-(4-fluorophenyl)-4e-ethynylpiperidine

Guidance literature:: In tetrahydrofuran; at 20 ℃; for 12h;
DOI:10.1007/BF00764463

Reference yield: 84.0%

: 1066-26-8
sodium acetylide

: 36106-54-4,60054-02-6,103021-98-3
3e-hydroxy-1e,3a-dimethyl-6e-(4-fluorophenyl)-4-piperidone

: 120729-81-9,121368-78-3
(3S,4R,6S)-4-Ethynyl-6-(4-fluoro-phenyl)-1,3-dimethyl-piperidine-3,4-diol

Guidance literature:: In diethyl ether; ammonia; for 1h;
DOI:10.1007/BF00764463

Reference yield:

: 31374-65-9
(E)-3-(4-Fluoro-phenyl)-1-(2-methyl-oxiranyl)-propenone

: 120729-81-9,121368-78-3
3a,4a-dihydroxy-1e,3e-dimethyl-6e-(4-fluorophenyl)-4e-ethynylpiperidine

Guidance literature:: Multi-step reaction with 2 steps

1: 40 percent / benzene / 1 h / 150 °C

2: 98 percent / tetrahydrofuran / 12 h / 20 °C

In tetrahydrofuran; benzene;
DOI:10.1007/BF00764463