2,4,5-TRIHYDROXYBENZALDEHYDE

Base Information

• Chemical Name: 2,4,5-TRIHYDROXYBENZALDEHYDE
• CAS No.: 35094-87-2
• Molecular Formula: C7H6O4
• Molecular Weight: 154.122
• Hs Code.: 29124990
• European Community (EC) Number: 918-774-1,626-789-7
• DSSTox Substance ID: DTXSID60349164
• Nikkaji Number: J308.268G
• Wikidata: Q72513463
• ChEMBL ID: CHEMBL3415884
• Mol file: 35094-87-2.mol

Synonyms:2,4,5-Trihydroxybenzaldehyde;4,5-Dihydroxysalicylaldehyde;

Chemical Property of 2,4,5-TRIHYDROXYBENZALDEHYDE

Chemical Property:

• Appearance/Colour: yellow to brown or khaki crystalline powder
• Vapor Pressure: 2.89E-06mmHg at 25°C
• Melting Point: 223-225 °C(lit.)
• Refractive Index: 1.734
• Boiling Point: 378.4 °C at 760 mmHg
• PKA: 7.41±0.23(Predicted)
• Flash Point: 196.8 °C
• PSA: 77.76000
• Density: 1.598 g/cm³
• LogP: 0.61590
• Storage Temp.: Inert atmosphere,Room Temperature
• Sensitive.: Air Sensitive
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 154.02660867
• Heavy Atom Count: 11
• Complexity: 147

Purity/Quality:

97% ^*data from raw suppliers

2,4,5-Trihydroxybenzaldehyde 97% ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=C(C(=CC(=C1O)O)O)C=O
• Uses: 2,4,5-Trihydroxybenzaldehyde is a useful reactant for the preparation of bis-?indolylmethanes as a potential for β-?glucuronidase inhibitors. 2,4,5-Trihydroxybenzaldehyde may be used in the synthesis of:2,4,5-tribenzyloxybenzaldehyde2,4,5-trihydroxybenzaldehyde N-(diphenylmethylene)hydrazine2-hydroxy-4,5-dimethoxybenzaldehyde

Technology Process of 2,4,5-TRIHYDROXYBENZALDEHYDE

There total 10 articles about 2,4,5-TRIHYDROXYBENZALDEHYDE 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: 56.0%

2-methoxy-4,5-methylenedioxybenzaldehyde (5780-00-7) → 2,4,5-trihydroxybenzaldehyde (35094-87-2)

Guidance literature:

With aluminium trichloride; In chloroform; for 1h; Heating;

DOI:10.1016/S0300-483X(01)00346-8

Reference yield: 52.0%

1,2,4-Trihydroxybenzene (533-73-3) + orthoformic acid triethyl ester (122-51-0) → 2,4,5-trihydroxybenzaldehyde (35094-87-2)

Guidance literature:

With aluminum (III) chloride; In benzene; at 0 - 20 ℃; for 1h;

DOI:10.1016/j.bmcl.2016.02.023

Reference yield:

1,2,4-Trihydroxybenzene (533-73-3) → 2,4,5-trihydroxybenzaldehyde (35094-87-2)

Guidance literature:

With hydrogenchloride; diethyl ether; anschliessene Hydrolyse;

upstream raw materials:

hydrogen cyanide

1,2,4-Trihydroxybenzene

1,2,4-trimethoxy-benzene

N,N-dimethyl-formamide

Downstream raw materials:

2-(2,4-dimethoxy-phenyl)-3-(3,4-dimethoxy-phenyl)-6-methoxy-chromen-7-one

2,4,5-triacetoxy-benzaldehyde

2,4,5-trihydroxy-3-morpholin-4-ylmethyl-benzaldehyde

2,5-dihydroxy-4-(methoxymethoxy)benzaldehyde