3,5-Dihydroxybenzaldehyde

Base Information

• Chemical Name: 3,5-Dihydroxybenzaldehyde
• CAS No.: 26153-38-8
• Molecular Formula: C7H6O3
• Molecular Weight: 138.123
• Hs Code.: 29124990
• European Community (EC) Number: 247-479-4
• DSSTox Substance ID: DTXSID60180776
• Nikkaji Number: J20.078F
• Wikidata: Q27121981
• Metabolomics Workbench ID: 57366
• Mol file: 26153-38-8.mol

Synonyms:3,5-Dihydroxybenzaldehyde;26153-38-8;Benzaldehyde, 3,5-dihydroxy-;3,5-dihydroxy benzaldehyde;MFCD00016611;EINECS 247-479-4;3,5-dihydroxy-benzaldehyde;.alpha.-Resorcylic aldehyde;SCHEMBL37131;CHEBI:50204;DTXSID60180776;3,5-Dihydroxybenzaldehyde, 98%;BBL101356;STL555152;AKOS005258327;AB01206;AC-5752;CS-W007416;AS-32854;SY041237;AM20120664;FT-0614619;A20612;W-107196;Q27121981

Chemical Property of 3,5-Dihydroxybenzaldehyde

Chemical Property:

• Appearance/Colour: White to tan to grey crystalline powder
• Vapor Pressure: 0.000131mmHg at 25°C
• Melting Point: 153-158 °C(lit.)
• Refractive Index: 1.674
• Boiling Point: 324.291 °C at 760 mmHg
• PKA: 8.73±0.10(Predicted)
• Flash Point: 164.138 °C
• PSA: 57.53000
• Density: 1.409 g/cm³
• LogP: 0.91030
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Sensitive.: Air Sensitive
• Solubility.: Soluble in ethanol and diethyl ether.
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 138.031694049
• Heavy Atom Count: 10
• Complexity: 114

Purity/Quality:

99% ^*data from raw suppliers

3,5-Dihydroxybenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-22
• Safety Statements: 22-24/25-37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1O)O)C=O
• Uses: 3,5-Dihydroxybenzaldehyde, is a benzaldehyde derivative, that can be used as a building block in the synthesis of more complex structures. It is used in the synthesis of Terbutaline, which is an important bronchodilator. 3,5-Dihydroxybenzaldehyde is suitable for use in the synthesis of 3,5-dihydroxyphenylglycine (3,5-DHPG). It may be used in the synthesis of:fulgide73,5-bis(undeca-4,6-diynyloxy)benzaldehyde3,5-didodecyloxybenzaldehyde1′-methyl-1′,5′-dihydro-2′-(3,5-bis(undeca-4,6-diynyloxy)phenyl)-1H-pyrrolo[3′,4′:1,9](C60-Ih)[5,6]fullerene (F2D)
• Description: 3,5-Dihydroxybenzaldehyde is a building block. It has been used in the synthesis of 2,4-dimethylbenzoylhydrazones with antileishmanial and antioxidant activities.

Technology Process of 3,5-Dihydroxybenzaldehyde

There total 13 articles about 3,5-Dihydroxybenzaldehyde 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: 80.0%

5-(hydroxymethyl)benzene-1,3-diol (29654-55-5) → 3,5-dihydroxybenzaldehyde (26153-38-8)

Guidance literature:

With chromium(VI) oxide; sulfuric acid; In tetrahydrofuran; at 0 ℃; for 2.5h;

Reference yield:

4'-methoxy-stilbene-3,5,3'-triol (65877-43-2) + ozone (10028-15-6) + acetic acid (64-19-7,77671-22-8) → isovanillin (621-59-0) + 3,5-dihydroxybenzaldehyde (26153-38-8)

Guidance literature:

anschliessendes Erwaermen mit Wasser;

Reference yield:

(E)-5-[2-4-(hydroxyphenyl)ethenyl]-1,3-benzenediol (501-36-0) → 3,5-dihydroxybenzaldehyde (26153-38-8) + C14H12O5 (1332302-64-3) + 4-hydroxy-benzaldehyde (123-08-0,65581-83-1)

Guidance literature:

With oxygen; methylene blue; In [D₃]acetonitrile; at 20 ℃; for 10h; Irradiation;

DOI:10.1021/ol201922u

upstream raw materials:

3,5-dihydroxystilbene

3,5-diacetoxybenzoyl chloride

3,5-bis-methoxycarbonyloxy-benzaldehyde

4'-methoxy-stilbene-3,5,3'-triol

Downstream raw materials:

2,3,5‐trihydroxybenzaldehyde

3,5-diacetoxybenzaldehyde

3-benzyloxy-5-hydroxybenzaldehyde

AG 83

Refernces

• 1、 -. "Synthesis technology of 3,5-dihydroxy benzaldehyde". Paragraph 0014; 0015; 0016. . Retrieved 2019/07/10.
• 2、 Silva, Claudia Gomes,Monteiro, Judith,Marques, Rita R. N.,Silva, Adrian M. T.,Martinez, Cristina,Canle L., Moises,Faria, Joaquim Luis. "Photochemical and photocatalytic degradation of trans-resveratrol". . p. 638 - 644. Retrieved 2013/05/21.