3,4-Piperidinediol, 4-ethynyl-3-methyl-6-phenyl-1-(phenylmethyl)-, (3-alpha,4-alpha,6-beta)-

Base Information

Chemical Name:3,4-Piperidinediol, 4-ethynyl-3-methyl-6-phenyl-1-(phenylmethyl)-, (3-alpha,4-alpha,6-beta)-
CAS No.:84714-87-4
Molecular Formula:C₂₁H₂₃NO₂
Molecular Weight:321.419
Hs Code.:
DSSTox Substance ID:DTXSID40233739
Wikidata:Q76156913

Synonyms:3a,4e-Dihydroxy-1-benzyl-3e-methyl-6e-phenyl-4a-ethynylpiperidine;3,4-Piperidinediol, 4-ethynyl-3-methyl-6-phenyl-1-(phenylmethyl)-, (3-alpha,4-alpha,6-beta)-;(3-alpha,4-alpha,6-beta)-4-Ethynyl-3-methyl-6-phenyl-1-(phenylmethyl)-3,4-piperidinediol;84714-87-4;DTXSID40233739;LS-115185

Suppliers and Price of 3,4-Piperidinediol, 4-ethynyl-3-methyl-6-phenyl-1-(phenylmethyl)-, (3-alpha,4-alpha,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 1 raw suppliers

Chemical Property of 3,4-Piperidinediol, 4-ethynyl-3-methyl-6-phenyl-1-(phenylmethyl)-, (3-alpha,4-alpha,6-beta)-

Chemical Property:

Vapor Pressure:4.47E-09mmHg at 25°C
Boiling Point:455.2°C at 760 mmHg
Flash Point:218.4°C
Density:1.2g/cm³
XLogP3:2.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:321.172878976
Heavy Atom Count:24
Complexity:472

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(CN(C(CC1(C#C)O)C2=CC=CC=C2)CC3=CC=CC=C3)O
Isomeric SMILES:C[C@@]1(CN([C@@H](C[C@@]1(C#C)O)C2=CC=CC=C2)CC3=CC=CC=C3)O

Technology Process of 3,4-Piperidinediol, 4-ethynyl-3-methyl-6-phenyl-1-(phenylmethyl)-, (3-alpha,4-alpha,6-beta)-

There total 11 articles about 3,4-Piperidinediol, 4-ethynyl-3-methyl-6-phenyl-1-(phenylmethyl)-, (3-alpha,4-alpha,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: 100.0%

: 1066-26-8
sodium acetylide

: 56642-31-0,56642-34-3
3a-hydroxy-3e-methyl-1-benzyl-4-piperidone

: 84714-87-4,84714-89-6,84714-95-4,84714-97-6
3a,4e-dihydroxy-3e-methyl-1e-benzyl-4a-ethynyl-6e-phenylpiperidine

Guidance literature:: In ammonia; for 1h;

Reference yield: 93.0%

: 56642-31-0,56642-34-3
3a-hydroxy-3e-methyl-1-benzyl-4-piperidone

: 4301-14-8
acetylenemagnesium bromide

: 84714-87-4,84714-89-6,84714-95-4,84714-97-6
3a,4e-dihydroxy-3e-methyl-1e-benzyl-4a-ethynyl-6e-phenylpiperidine

Guidance literature:: In diethyl ether; at 20 - 25 ℃; for 12h;

Reference yield:

: 36106-49-7,52899-10-2,56029-53-9
3a-hydroxy-1e,3e-dimethyl-4-piperidone

: 84714-87-4,84714-89-6,84714-95-4,84714-97-6
3a,4e-dihydroxy-3e-methyl-1e-benzyl-4a-ethynyl-6e-phenylpiperidine

Guidance literature:: Multi-step reaction with 3 steps

1: triethylamine / CHCl₃ / 12 h / 20 - 25 °C

2: 1.) ether, 20 - 25 deg C; 2.) 5percent aq. H₂SO₄, reflux 1 h.

3: 100 percent / liquid ammonia / 1 h

With triethylamine; In chloroform; ammonia;