3,5-Di(hydroxymethyl)phenol

Base Information

• Chemical Name: 3,5-Di(hydroxymethyl)phenol
• CAS No.: 153707-56-3
• Molecular Formula: C8H10 O3
• Molecular Weight: 154.166
• DSSTox Substance ID: DTXSID20364030
• Nikkaji Number: J1.055.661I
• Wikidata: Q82147802
• Mol file: 153707-56-3.mol

Synonyms:3,5-Di(hydroxymethyl)phenol;153707-56-3;3,5-bis(hydroxymethyl)phenol;(5-hydroxy-1,3-phenylene)dimethanol;3,5-Bis-hydroxymethylphenol;3,5-bis-hydroxymethyl phenol;SCHEMBL351788;3,5-di-(hydroxymethyl)phenol;DTXSID20364030;MFCD05149208;AKOS006293454;FT-0691998;F72582;A1-12227;J-501590

Chemical Property of 3,5-Di(hydroxymethyl)phenol

Chemical Property:

• Vapor Pressure: 4.2E-07mmHg at 25°C
• Refractive Index: 1.628
• Boiling Point: 399.6°Cat760mmHg
• Flash Point: 208.2°C
• PSA: 60.69000
• Density: 1.334g/cm³
• LogP: 0.37680
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 154.062994177
• Heavy Atom Count: 11
• Complexity: 104

Purity/Quality:

99% ^*data from raw suppliers

3,5-Di(hydroxymethyl)phenol 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1CO)O)CO

Technology Process of 3,5-Di(hydroxymethyl)phenol

There total 7 articles about 3,5-Di(hydroxymethyl)phenol 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%

Dimethyl 5-hydroxyisophthalate (13036-02-7) → 3,5-bis(hydroxymethyl)phenol (153707-56-3)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 3h; Heating;

DOI:10.1002/(SICI)1521-3765(19980515)4:5<781::AID-CHEM781>3.0.CO;2-3

Reference yield: 96.0%

diethyl 5-hydroxyisophthalate (39630-68-7) → 3,5-bis(hydroxymethyl)phenol (153707-56-3)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; Heating;

DOI:10.1021/ma021417n

Reference yield: 85.0%

di-n-butyl 5-hydroxyisophthalate (221648-02-8) → 3,5-bis(hydroxymethyl)phenol (153707-56-3)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 12h; Heating;

DOI:10.1021/ja9725256

upstream raw materials:

Dimethyl 5-hydroxyisophthalate

di-n-butyl 5-hydroxyisophthalate

hexadecane-1-sulfonic acid 3,5-bis-hydroxymethyl-phenyl ester

diethyl 5-hydroxyisophthalate

Downstream raw materials:

1,1-dimethylethyl [3,5-bis(hydroxymethyl)phenoxy]acetate

1,3-bis(hydroxymethyl)-5-(methoxymethoxy)benzene

hexadecane-1-sulfonic acid 3,5-bis-(3,5-bis-hydroxymethyl-phenoxymethyl)-phenyl ester

{3-[6-(tert-Butyl-diphenyl-silanyloxy)-hexyloxy]-5-hydroxymethyl-phenyl}-methanol

Refernces

• 1、 Bian, Hongzhu,Dong, Xun,Fu, Rong,Li, Congcong,Liu, Chang,Shen, Zhengwu,Xu, Wei,Xu, Zhenye,Zhang, Jinghua,Zhao, Xiaozhen,Zou, Xiaosu. "Study on the structure-activity relationship of dihydroartemisinin derivatives: Discovery, synthesis, and biological evaluation of dihydroartemisinin-bile acid conjugates as potential anticancer agents". supporting information. . Retrieved 2021/08/17.
• 2、 Sheludko, Boris,Castro, Cristina F.,Khalap, Chaitanya A.,Emge, Thomas J.,Goldman, Alan S.,Celik, Fuat E.. "Regioselective Gas-Phase n-Butane Transfer Dehydrogenation via Silica-Supported Pincer-Iridium Complexes". . p. 407 - 415. Retrieved 2020/12/01.