2-Formyl-3,5-dihydroxyphenyl benzoate

Base Information

• Chemical Name: 2-Formyl-3,5-dihydroxyphenyl benzoate
• CAS No.: 32292-78-7
• Molecular Formula: C14H10 O5
• Molecular Weight: 258.23
• European Community (EC) Number: 250-981-6
• UNII: AY9KWM2RLX
• DSSTox Substance ID: DTXSID20186032
• Nikkaji Number: J319.358F
• Wikidata: Q83057216
• Mol file: 32292-78-7.mol

Synonyms:2-Formyl-3,5-dihydroxyphenyl benzoate;32292-78-7;Benzaldehyde,2-(benzoyloxy)-4,6-dihydroxy-;(2-formyl-3,5-dihydroxyphenyl) benzoate;AY9KWM2RLX;EINECS 250-981-6;2-Benzoyloxy-4,6-dihydroxybenzaldehyde;UNII-AY9KWM2RLX;SCHEMBL5692519;DTXSID20186032;AKOS030255393;AS-65304;CS-0137243;10.14272/NQGFNZGQTUVDDL-UHFFFAOYSA-N;Benzoic acid 2-formyl-3,5-dihydroxyphenyl ester;2-(BENZOYLOXY)-4,6-DIHYDROXYBENZALDEHYDE;doi:10.14272/NQGFNZGQTUVDDL-UHFFFAOYSA-N;BENZALDEHYDE, 2-(BENZOYLOXY)-4,6-DIHYDROXY-

Chemical Property of 2-Formyl-3,5-dihydroxyphenyl benzoate

Chemical Property:

• Vapor Pressure: 2.64E-11mmHg at 25°C
• Boiling Point: 516.9°Cat760mmHg
• PKA: 6.74±0.23(Predicted)
• Flash Point: 202.2°C
• PSA: 83.83000
• Density: 1.423g/cm³
• LogP: 2.12950
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 258.05282342
• Heavy Atom Count: 19
• Complexity: 324

Purity/Quality:

98%Min ^*data from raw suppliers

2-Benzoyloxy-4,6-dihydroxybenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)OC2=CC(=CC(=C2C=O)O)O
• Uses: 2-Benzoyloxy-4,6-dihydroxybenzaldehyde is an intermediate in the synthesis of Hirsutidin Chloride (H356800), which is an anthocyanidin found in the Madagascar Periwinkle (Catharanthus Roseus). Hirsutidin Chloride can be used in the preparation of plant based compounds to lower LDL cholesterol.

Technology Process of 2-Formyl-3,5-dihydroxyphenyl benzoate

There total 5 articles about 2-Formyl-3,5-dihydroxyphenyl benzoate 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: 30.0%

2,4,6-trihydroxybenzaldehyde (487-70-7) + benzoyl chloride (98-88-4) → 2-formyl-3,5-dihydroxyphenyl benzoate (32292-78-7)

Guidance literature:

2,4,6-trihydroxybenzaldehyde; benzoyl chloride; With potassium hydroxide; In water; at 0 ℃; for 0.666667h; Inert atmosphere;

With sodium hydrogencarbonate; In water; for 0.5h;

DOI:10.1039/c9cc07943b

Reference yield:

benzoyl chloride (98-88-4) → 2-formyl-3,5-dihydroxyphenyl benzoate (32292-78-7)

Guidance literature:

With potassium hydroxide; at -5 ℃;

Reference yield:

3,5-dihydroxylphenyl benzoate (62191-56-4) → 2-formyl-3,5-dihydroxyphenyl benzoate (32292-78-7)

Guidance literature:

With hydrogenchloride; diethyl ether; hydrogen cyanide; nachf. Verseifen mit Natriumacetat-Loesung bei 80grad;

upstream raw materials:

3,5-dihydroxylphenyl benzoate

benzoyl chloride

2,4,6-trihydroxybenzaldehyde

Downstream raw materials:

2-benzoyloxy-6-hydroxy-4-methoxybenzaldehyde

2-benzoyloxy-4,6-dimethoxy-benzaldehyde

Refernces

• 1、 Kraus, Michael,Biskup, Ellen,Richling, Elke,Schreier, Peter. "Synthesis of [4-14C]-pelargonidin chloride and [4- 14C]-delphinidin chloride". . p. 1151 - 1162. Retrieved 2007/10/03.