Benzenemethanol, 4-(diethoxymethyl)-

Base Information

• Chemical Name: Benzenemethanol, 4-(diethoxymethyl)-
• CAS No.: 125734-44-3
• Molecular Formula: C12H18O3
• Molecular Weight: 210.273
• DSSTox Substance ID: DTXSID90453864
• Nikkaji Number: J1.996.737I
• Wikidata: Q82275136
• Mol file: 125734-44-3.mol

Synonyms:Benzenemethanol, 4-(diethoxymethyl)-;125734-44-3;[4-(diethoxymethyl)phenyl]methanol;4-(Diethoxymethyl)benzyl alcohol;(4-(Diethoxymethyl)phenyl)methanol;SCHEMBL4738416;DTXSID90453864;NJIFFRZXYZKPFQ-UHFFFAOYSA-N;1-(Diethoxymethyl)-4-(hydroxymethyl)benzene;EN300-6732466

Chemical Property of Benzenemethanol, 4-(diethoxymethyl)-

Chemical Property:

• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 210.125594432
• Heavy Atom Count: 15
• Complexity: 147

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(C1=CC=C(C=C1)CO)OCC

Technology Process of Benzenemethanol, 4-(diethoxymethyl)-

There total 2 articles about Benzenemethanol, 4-(diethoxymethyl)- 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%

terephthalaldehyde mono(diethylacetal) (81172-89-6) → 4-(hydroxymethyl)benzaldehyde diethyl acetal (125734-44-3)

Guidance literature:

With sodium tetrahydroborate; In tetrahydrofuran; at 20 ℃; for 1.5h;

DOI:10.1021/jo049899j

Reference yield:

terephthalaldehyde, (623-27-8) → 4-(hydroxymethyl)benzaldehyde diethyl acetal (125734-44-3)

Guidance literature:

Multi-step reaction with 2 steps

1: ammonium chloride / ethanol / 0 - 20 °C

2: sodium tetrahydroborate; methanol / 1 h / 0 - 20 °C

With methanol; sodium tetrahydroborate; ammonium chloride; In ethanol;

DOI:10.1002/anie.201905027

Reference yield: 100.0%

4-(hydroxymethyl)benzaldehyde diethyl acetal (125734-44-3) → 4-(bromomethyl)benzaldehyde (51359-78-5)

Guidance literature:

With sulfurous dibromide; In dichloromethane; at 20 ℃; for 2h;

DOI:10.1002/ejic.201500116

upstream raw materials:

terephthalaldehyde mono(diethylacetal)

terephthalaldehyde,

Downstream raw materials:

3,3′-dihydroxy-6,6′-bis(hydroxymethyl)-2,2′-(4-methoxylphenylmethane-1,1-diyl)di-4H-pyran-4-one

bis(5-(ethoxycarbonyl)-4-ethyl-3-methyl-2-pyrryl)(4-(hydroxymethyl)phenyl)methane

dibenzyl 5-<4-(hydroxymethyl)phenyl>-2,3,7,8-tetramethyldipyrromethane-1,9-dicarboxylate

(E)-7-[3-(4-Diethoxymethyl-benzyloxy)-phenyl]-7-pyridin-3-yl-hept-6-enoic acid ethyl ester

Refernces

• 1、 -. "ETHER COMPOUNDS AND USES THEREOF". Paragraph 0183. . Retrieved 2019/03/12.
• 2、 Huy, Peter H.,Motsch, Sebastian,Kappler, Sarah M.. "Formamides as Lewis Base Catalysts in SNReactions—Efficient Transformation of Alcohols into Chlorides, Amines, and Ethers". . p. 10145 - 10149. Retrieved 2016/08/16.