4,4''-Diethoxybenzoin

Base Information

• Chemical Name: 4,4''-Diethoxybenzoin
• CAS No.: 53458-15-4
• Molecular Formula: C18H20O4
• Molecular Weight: 300.354
• Hs Code.: 2914509090
• DSSTox Substance ID: DTXSID70480779
• Mol file: 53458-15-4.mol

Synonyms:4,4''-Diethoxybenzoin;53458-15-4;SCHEMBL2299624;DTXSID70480779

Chemical Property of 4,4''-Diethoxybenzoin

Chemical Property:

• PSA: 55.76000
• LogP: 3.40030
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 300.13615911
• Heavy Atom Count: 22
• Complexity: 328

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)OCC)O

Technology Process of 4,4''-Diethoxybenzoin

There total 6 articles about 4,4''-Diethoxybenzoin 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: 53.0%

4-ethoxybenzaldehyde (10031-82-0) → 1,2-bis(4-ethoxyphenyl)-2-hydroxyethanone (53458-15-4)

Guidance literature:

With Thiamine hydrochloride; triethylamine; In ethanol; at 20 ℃; for 24h; Inert atmosphere;

DOI:10.1016/j.tet.2011.11.014

Reference yield:

4-ethoxybenzaldehyde (10031-82-0) → 4,4'-diethoxybenzil (2132-59-4) + 1,2-bis(4-ethoxyphenyl)-2-hydroxyethanone (53458-15-4)

Guidance literature:

With sodium hydroxide; Thiamine hydrochloride; In ethanol; water; for 72h;

DOI:10.1016/j.tet.2005.05.082

Reference yield:

4,4'-diethoxy-α-bromo-deoxybenzoin (42445-10-3) → 1,2-bis(4-ethoxyphenyl)-2-hydroxyethanone (53458-15-4)

Guidance literature:

With ethanol; sodium ethanolate; anschliessendes Behandeln mit H₂O;

DOI:10.1021/jo01358a027

upstream raw materials:

4,4'-diethoxy-α-bromo-deoxybenzoin

4-ethoxybenzaldehyde

4,4'-diethoxy-deoxybenzoin

4-ethoxyphenylacetic acid chloride

Downstream raw materials:

4,4'-diethoxybenzil

Refernces

• 1、 Hischer, Tanja,Gocke, D?rte,Fernández, María,Hoyos, Pilar,Alcántara, Andrés R.,Sinisterra, José V.,Hartmeier, Winfried,Ansorge-Schumacher, Marion B.. "Stereoselective synthesis of novel benzoins catalysed by benzaldehyde lyase in a gel-stabilised two-phase system". . p. 7378 - 7383. Retrieved 2007/10/03.
• 2、 -. "N,N-Disubstituted 2,3-diphenylallylamines". . . Retrieved 2008/06/13.