1,3-Dioxane-4-acetic acid, 2,6-diphenyl-, ethyl ester, (4R,6S)-

Base Information

Chemical Name:1,3-Dioxane-4-acetic acid, 2,6-diphenyl-, ethyl ester, (4R,6S)-
CAS No.:874198-18-2
Molecular Formula:C20H22O4
Molecular Weight:326.392
Hs Code.:
DSSTox Substance ID:DTXSID90467906
Nikkaji Number:J2.260.585B

Synonyms:1,3-Dioxane-4-acetic acid, 2,6-diphenyl-, ethyl ester, (4R,6S)-;874198-18-2;DTXSID90467906

Suppliers and Price of 1,3-Dioxane-4-acetic acid, 2,6-diphenyl-, ethyl ester, (4R,6S)-

Supply Marketing:

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

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Chemical Property of 1,3-Dioxane-4-acetic acid, 2,6-diphenyl-, ethyl ester, (4R,6S)-

Chemical Property:

XLogP3:3.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:326.15180918
Heavy Atom Count:24
Complexity:385

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)CC1CC(OC(O1)C2=CC=CC=C2)C3=CC=CC=C3
Isomeric SMILES:CCOC(=O)C[C@H]1C[C@H](OC(O1)C2=CC=CC=C2)C3=CC=CC=C3

Technology Process of 1,3-Dioxane-4-acetic acid, 2,6-diphenyl-, ethyl ester, (4R,6S)-

There total 2 articles about 1,3-Dioxane-4-acetic acid, 2,6-diphenyl-, ethyl ester, (4R,6S)- 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: 61.0%

: (S,E)-ethyl 5-hydroxy-5-phenylpent-2-enoate

: 100-52-7
benzaldehyde

: 874198-18-2
((4R,6S)-2,6-Diphenyl-[1,3]dioxan-4-yl)-acetic acid ethyl ester

Guidance literature:: With potassium tert-butylate; In tetrahydrofuran; at 0 ℃; for 0.5h;
DOI:10.1016/j.tetlet.2005.10.129

Reference yield:

: 77118-87-7,936-58-3
(S)-1-Phenyl-3-buten-1-ol

: 874198-18-2
((4R,6S)-2,6-Diphenyl-[1,3]dioxan-4-yl)-acetic acid ethyl ester

Guidance literature:: Multi-step reaction with 2 steps

1.1: O₃ / CH₂Cl₂ / 0.5 h / -78 °C

1.2: 79 percent / PPh₃ / CH₂Cl₂ / 2 h / 20 °C

2.1: 61 percent / t-BuOK / tetrahydrofuran / 0.5 h / 0 °C

With potassium tert-butylate; ozone; In tetrahydrofuran; dichloromethane; 1.2: Wittig olefination;
DOI:10.1016/j.tetlet.2005.10.129