cis-1,3-Dimethyl-4-ethynyl-6-phenyl-3,4-piperidinediol

Base Information

• Chemical Name: cis-1,3-Dimethyl-4-ethynyl-6-phenyl-3,4-piperidinediol
• CAS No.: 84687-60-5
• Molecular Formula: C₁₅H₁₉NO₂
• Molecular Weight: 245.321
• DSSTox Substance ID: DTXSID30233682
• Wikidata: Q76156894
• Mol file: 84687-60-5.mol

Synonyms:cis-1,3-Dimethyl-4-ethynyl-6-phenyl-3,4-piperidinediol;84687-60-5;3,4-Piperidinediol, 1,3-dimethyl-4-ethynyl-6-phenyl-, (3-alpha,4-beta,6-beta)-;(3-alpha,4-beta,6-beta)-1,3-Dimethyl-4-ethynyl-6-phenyl-3,4-piperidinediol;DTXSID30233682;LS-115170

Chemical Property of cis-1,3-Dimethyl-4-ethynyl-6-phenyl-3,4-piperidinediol

Chemical Property:

• Vapor Pressure: 7.25E-06mmHg at 25°C
• Boiling Point: 361.8°C at 760 mmHg
• Flash Point: 168.6°C
• PSA: 43.70000
• Density: 1.18g/cm³
• LogP: 1.11640
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 245.141578849
• Heavy Atom Count: 18
• Complexity: 355

Purity/Quality:

CIS-1,3-DIMETHYL-4-ETHYNYL-6-PHENYL-3,4-PIPERIDINEDIOL 95.00% ^*data from reagent 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)C)O
• Isomeric SMILES: C[C@@]1(CN([C@@H](C[C@]1(C#C)O)C2=CC=CC=C2)C)O

Technology Process of cis-1,3-Dimethyl-4-ethynyl-6-phenyl-3,4-piperidinediol

There total 9 articles about cis-1,3-Dimethyl-4-ethynyl-6-phenyl-3,4-piperidinediol 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 acetylide (1066-26-8) + 3a-hydroxy-1e,3e-dimethyl-4-piperidone (36106-49-7,52899-10-2,56029-53-9) → 3a,4a-dihydroxy-1e,3e-dimethyl-4e-ethynyl-6e-phenylpiperidine (84687-60-5,84687-62-7,84714-91-0,98114-75-1)

Guidance literature:

In ammonia; for 1h;

Reference yield: 91.0%

3a-hydroxy-1e,3e-dimethyl-4-piperidone (36106-49-7,52899-10-2,56029-53-9) + acetylenemagnesium bromide (4301-14-8) → 3a,4a-dihydroxy-1e,3e-dimethyl-4e-ethynyl-6e-phenylpiperidine (84687-60-5,84687-62-7,84714-91-0,98114-75-1)

Guidance literature:

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

Reference yield:

(1R,2S,5S)-5-Hydroxy-1,5-dimethyl-2-phenyl-piperidin-4-one (36106-49-7,52899-10-2,56029-53-9) + acetylenemagnesium bromide (4301-14-8) → 3e,4a-dihydroxyl-1e,3a-dimethyl-4e-ethynyl-6e-phenylpiperidine (84687-60-5,84687-62-7,84714-91-0,98114-75-1) + 3e,4e-dihydroxy-1e,3a-dimethyl-4e-ethynyl-6e-phenylpiperidine (84687-60-5,84687-62-7,84714-91-0,98114-75-1)

Guidance literature:

In tetrahydrofuran; at 20 - 25 ℃; for 12h; Yield given. Yields of byproduct given;

upstream raw materials:

3e-Hydroxy-1e,3a-dimethyl-6e-phenyl-4-piperidone

sodium acetylide

(1R,2S,5S)-5-Hydroxy-1,5-dimethyl-2-phenyl-piperidin-4-one

acetylenemagnesium bromide

Downstream raw materials:

(3S,4R,6S)-4-(3-Diethylamino-prop-1-ynyl)-1,3-dimethyl-6-phenyl-piperidine-3,4-diol

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