Phenylmethanediol

Base Information

• Chemical Name: Phenylmethanediol
• CAS No.: 4403-72-9
• Molecular Formula: C7H8O2
• Molecular Weight: 124.139
• DSSTox Substance ID: DTXSID80330216
• Nikkaji Number: J1.587.882G
• Wikipedia: Phenylmethanediol
• Wikidata: Q82094245
• Mol file: 4403-72-9.mol

Synonyms:Phenylmethanediol;Methanediol, phenyl-;4403-72-9;SCHEMBL108052;DTXSID80330216;FT-0611310

Chemical Property of Phenylmethanediol

Chemical Property:

• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 124.052429494
• Heavy Atom Count: 9
• Complexity: 75

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(O)O

Technology Process of Phenylmethanediol

There total 4 articles about Phenylmethanediol 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:

benzaldehyde (100-52-7) → phenylboronic acid (4403-72-9)

Guidance literature:

In aq. phosphate buffer; at 20 ℃; for 24h; pH=7;

DOI:10.3390/molecules22122205

Reference yield:

benzoic acid (65-85-0,8013-63-6) → phenylboronic acid (4403-72-9) + benzil diketal

Guidance literature:

With samarium diiodide; water; In tetrahydrofuran; at 20 ℃; for 0.05h; Overall yield = 99 %Spectr.; Schlenk technique; Inert atmosphere;

DOI:10.1021/ja503494b

Reference yield:

benzyl alcohol (100-51-6,185532-71-2) → phenylboronic acid (4403-72-9)

Guidance literature:

Multi-step reaction with 2 steps

1: oxygen; dihydrogen peroxide / Enzymatic reaction

2: aq. phosphate buffer / 24 h / 20 °C / pH 7

With dihydrogen peroxide; oxygen; In aq. phosphate buffer;

DOI:10.3390/molecules22122205

upstream raw materials:

benzoic acid

benzyl alcohol

benzaldehyde

Downstream raw materials:

5-methyl-2-phenyl-1,3-dioxane-5-carboxylic acid

benzoic acid

4-methoxylbiphenyl

2-(Hydroxy-phenyl-methyl)-2-trimethylsilanyloxy-cyclobutanone

Refernces

• 1、 Szostak, Michal,Spain, Malcolm,Procter, David J.. "Ketyl-type radicals from cyclic and acyclic esters are stabilized by SmI2(H2O)n: the role of SmI2(H 2O)n in post-electron transfer steps". supporting information. p. 8459 - 8466. Retrieved 2014/06/24.