3,5-Dihydroxybenzyl alcohol

Base Information

• Chemical Name: 3,5-Dihydroxybenzyl alcohol
• CAS No.: 29654-55-5
• Molecular Formula: C7H8O3
• Molecular Weight: 140.139
• Hs Code.: 29052900
• European Community (EC) Number: 249-751-8
• DSSTox Substance ID: DTXSID30183830
• Nikkaji Number: J41.852H
• Wikidata: Q72466517
• Metabolomics Workbench ID: 99901
• ChEMBL ID: CHEMBL4076614
• Mol file: 29654-55-5.mol

Synonyms:3,5-dihydroxybenzyl alcohol

Chemical Property of 3,5-Dihydroxybenzyl alcohol

Chemical Property:

• Appearance/Colour: White to light yellow crystal powder
• Vapor Pressure: 8.03E-06mmHg at 25°C
• Melting Point: 182-186 °C (dec.)(lit.)
• Refractive Index: 1.648
• Boiling Point: 360.4 °C at 760 mmHg
• PKA: 9.23±0.10(Predicted)
• Flash Point: 188.9 °C
• PSA: 60.69000
• Density: 1.399 g/cm³
• LogP: 0.59010
• Storage Temp.: Refrigerator
• Solubility.: Soluble in DMSO, methanol.
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 140.047344113
• Heavy Atom Count: 10
• Complexity: 95

Purity/Quality:

99% ^*data from raw suppliers

3,5-Dihydroxybenzyl Alcohol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=C(C=C(C=C1O)O)CO
• Uses: 3,5-Dihydroxybenzyl Alcohol is a used as a dendrimer building block. 3,5-Dihydroxybenzyl alcohol may be used as monomer for the synthesis of a series of monodisperse dendritic polyether macromolecules.?It may be employed in the synthesis of dimethylsilyl linked dihydroxybenzyl alcohol based dendrimers.

Technology Process of 3,5-Dihydroxybenzyl alcohol

There total 7 articles about 3,5-Dihydroxybenzyl alcohol 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: 94.0%

3,5-Dihydroxybenzoic acid (99-10-5) → 5-(hydroxymethyl)benzene-1,3-diol (29654-55-5)

Guidance literature:

With Trimethyl borate; dimethylsulfide borane complex; In tetrahydrofuran; for 24h; Reflux;

DOI:10.1021/acs.joc.1c00195

Reference yield: 83.2%

3,5-diacetoxy-benzyl alcohol (35354-30-4) → 5-(hydroxymethyl)benzene-1,3-diol (29654-55-5)

Guidance literature:

With sodium hydrogencarbonate;

Reference yield: 70.0%

1-carbomethoxy-3,5-dihydroxybenzene (2150-44-9) → 5-(hydroxymethyl)benzene-1,3-diol (29654-55-5)

Guidance literature:

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

DOI:10.1007/s11172-005-0076-z

upstream raw materials:

3,5-diacetoxy-benzyl alcohol

3,5-dibenzyloxybenzyl alcohol

3,5-Dihydroxybenzoic acid

3,5-dihydroxybenzaldehyde

Downstream raw materials:

3,5-dihydroxy-4-geranyl benzaldehyde

3,5-bis[4-(methoxycarbonyl)phenylmethyl]benzyl alcohol

3-(3,5-Bis-benzyloxy-benzyloxy)-5-hydroxymethyl-phenol

C₁₁₂H₉₈O₁₇

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