Dihydroyashabushiketol

Base Information

• Chemical Name: Dihydroyashabushiketol
• CAS No.: 24192-01-6
• Molecular Formula: C₁₉H₂₂O₂
• Molecular Weight: 282.382
• European Community (EC) Number: 803-505-1
• Nikkaji Number: J412.041H
• Wikidata: Q104953515
• ChEMBL ID: CHEMBL5205193
• Mol file: 24192-01-6.mol

Synonyms:Dihydroyashabushiketol;24192-01-6;(5S)-5-HYDROXY-1,7-DIPHENYLHEPTAN-3-ONE;MEGxp0_001146;CHEMBL5205193;ACon1_001038;AKOS040735232;NCGC00169735-01;Dihydroyashabushiketol, >=95% (LC/MS-ELSD)

Chemical Property of Dihydroyashabushiketol

Chemical Property:

• Storage Temp.: ?20°C
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 282.161979940
• Heavy Atom Count: 21
• Complexity: 288

Purity/Quality:

99% ^*data from raw suppliers

Dihydroyashabushiketol ≥95% (LC/MS-ELSD) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: N
• Statements: 50
• Safety Statements: 61

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CCC(CC(=O)CCC2=CC=CC=C2)O
• Isomeric SMILES: C1=CC=C(C=C1)CC[C@@H](CC(=O)CCC2=CC=CC=C2)O

Technology Process of Dihydroyashabushiketol

There total 24 articles about Dihydroyashabushiketol 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%

C19H19NO → 5-hydroxy-1,7-diphenylheptan-3-one (24192-01-6,93603-99-7,100761-20-4,55836-43-6)

Guidance literature:

With 5% Pd(II)/C(eggshell); hydrogen;

DOI:10.1016/j.tetasy.2011.04.014

Reference yield: 99.0%

1-(2-Phenethyl-[1,3]dioxolan-2-yl)-4-phenyl-butan-2-ol (93559-15-0) → 5-hydroxy-1,7-diphenylheptan-3-one (24192-01-6,93603-99-7,100761-20-4,55836-43-6)

Guidance literature:

With hydrogen fluoride;

Reference yield: 96.0%

C19H21ClO2 → (S)-1,7-diphenyl-5-hydroxy-3-heptanone (24192-01-6,55836-43-6,93603-99-7,100761-20-4)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); tris-(trimethylsilyl)silane; In toluene; at 110 ℃; for 18h; Inert atmosphere; Sealed tube;

DOI:10.1039/c3ob27462d

upstream raw materials:

3-phenyl-propionaldehyde

4-Phenyl-2-butanone

1,7-diphenylheptane-3,5-diol

1-(2-Phenethyl-[1,3]dioxolan-2-yl)-4-phenyl-butan-2-ol

Downstream raw materials:

1,7-bisphenylheptane-3,5-dione

5-methoxy-1,7-diphenyl-3-heptanone

4-(dimethyl-λ4-sulfanylidene)-1,7-diphenylheptane-3,5-dione

Benzoic acid (S)-3-oxo-1-phenethyl-5-phenyl-pentyl ester

Refernces

• 1、 Halperin, Shira D.,Britton, Robert. "Chlorine, an atom economical auxiliary for asymmetric aldol reactions". . p. 1702 - 1705. Retrieved 2013/03/29.
• 2、 Pulkkinen, Juha T.,Honkakoski, Paavo,Per?kyl?, Mikael,Berczi, Istvan,Laatikainen, Reino. "Synthesis and evaluation of estrogen agonism of diaryl 4,5- dihydroisoxazoles, 3-hydroxyketones, 3-methoxyketones, and 1,3-diketones: A compound set forming a 4D molecular library". supporting information; experimental part. p. 3562 - 3571. Retrieved 2009/04/06.