Resorcinol dibenzoate

Base Information

• Chemical Name: Resorcinol dibenzoate
• CAS No.: 94-01-9
• Deprecated CAS: 31228-61-2
• Molecular Formula: C20H14O4
• Molecular Weight: 318.329
• Hs Code.: 29173990
• European Community (EC) Number: 202-294-8
• NSC Number: 33405,4906
• UNII: TO6NXP18UZ
• DSSTox Substance ID: DTXSID30883282
• Nikkaji Number: J59.565I
• Wikidata: Q72501739
• Mol file: 94-01-9.mol

Synonyms:Resorcinol dibenzoate;1,3-Dibenzoyloxybenzene;94-01-9;1,3-Phenylene dibenzoate;m-Phenylene dibenzoate;1,3-Benzenediol, dibenzoate;Resorcinol, dibenzoate;1,3-Bis(benzoyloxy)benzene;(3-benzoyloxyphenyl) benzoate;1,3-Phenylenedibenzoate;1,3-Benzenediol, 1,3-dibenzoate;3-(Benzoyloxy)phenyl benzoate;EINECS 202-294-8;NSC 33405;TO6NXP18UZ;BRN 2059467;AI3-00846;NSC-4906;NSC-33405;m-phenylendibenzoat;dibenzoyl resorcinol;UNII-TO6NXP18UZ;Oprea1_087187;Oprea1_857675;SCHEMBL1785471;1,3-Dibenzoyloxybenzene, 98%;3-(Benzoyloxy)phenyl benzoate #;DTXSID30883282;NSC4906;NSC33405;MFCD00016576;AKOS003646463;LS-143392;CS-0128942;D5207;D90376;AH-357/02159001;SR-01000393853;SR-01000393853-1

Chemical Property of Resorcinol dibenzoate

Chemical Property:

• Appearance/Colour: white to beige or pale brown crystalline powder
• Vapor Pressure: 2.58E-09mmHg at 25°C
• Melting Point: 115-117 °C
• Refractive Index: 1.615
• Boiling Point: 478.399 °C at 760 mmHg
• Flash Point: 243.683 °C
• PSA: 52.60000
• Density: 1.242 g/cm³
• LogP: 4.12500
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: soluble in Acetone
• XLogP3: 5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 318.08920892
• Heavy Atom Count: 24
• Complexity: 383

Purity/Quality:

98%,99%, ^*data from raw suppliers

1,3-Dibenzoyloxybenzene ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)OC2=CC(=CC=C2)OC(=O)C3=CC=CC=C3

Technology Process of Resorcinol dibenzoate

There total 13 articles about Resorcinol dibenzoate 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: 95.0%

benzoic acid anhydride (93-97-0) + recorcinol (108-46-3) → resorcinol dibenzoate (94-01-9)

Guidance literature:

With scandium tris(trifluoromethanesulfonate); In acetonitrile; for 1h; Ambient temperature;

DOI:10.1021/jo952237x

Reference yield: 80.0%

recorcinol (108-46-3) + 3,6-dibenzoyloxy-1,2-pyridazine (848417-68-5) → resorcinol dibenzoate (94-01-9)

Guidance literature:

With triethylamine; In N,N-dimethyl-formamide; at 75 - 80 ℃; for 6h;

Reference yield: 72.0%

benzoyl chloride (98-88-4) + recorcinol (108-46-3) → resorcinol dibenzoate (94-01-9)

Guidance literature:

With potassium carbonate; sodium chloride; at 120 ℃; for 0.0333333h; under 2700.27 Torr; Microwave irradiation; Sealed tube; Green chemistry;

DOI:10.1080/00397911.2015.1078899

upstream raw materials:

pyridine

benzoyl chloride

recorcinol

benzoic acid anhydride

Downstream raw materials:

isoamyl benzoate

recorcinol

2.4-dihydroxybenzophenone

2,4,6-tribenzoyl-resorcinol

Refernces

• 1、 Michigami, Kyosuke,Yoshimoto, Kazuya,Hayashi, Masahiko. "HF-Pyridine: A versatile promoter for monoacylation/sulfonylation of phenolic diols and for direct conversion of t-butyldimethylsilyl ethers to the corresponding acetates". scheme or table. p. 138 - 139. Retrieved 2012/03/09.
• 2、 Paul, Satya,Nanda, Puja,Gupta, Rajive. "PhCOCI-Py/basic alumina as a versatile reagent for benzoylation in solvent-free conditions". . p. 374 - 380. Retrieved 2007/10/03.