Dipyrocetyl

Base Information

• Chemical Name: Dipyrocetyl
• CAS No.: 486-79-3
• Molecular Formula: C11H10 O6
• Molecular Weight: 238.197
• Hs Code.: 2918990090
• European Community (EC) Number: 207-641-7
• NSC Number: 758212
• UNII: EF5UVE254C
• DSSTox Substance ID: DTXSID9045976
• Nikkaji Number: J182.232B
• Wikipedia: Dipyrocetyl
• Wikidata: Q5280140
• NCI Thesaurus Code: C80542
• Metabolomics Workbench ID: 154617
• ChEMBL ID: CHEMBL1451173
• Mol file: 486-79-3.mol

Synonyms:2,3-DABA;2,3-diacetoxybenzoic acid;2,3-diacetyloxybenzoic acid;tosiben

Chemical Property of Dipyrocetyl

Chemical Property:

• Vapor Pressure: 4.07E-07mmHg at 25°C
• Melting Point: 148-150° (Rietz); mp 146-170° (Simokoriyama)
• Boiling Point: 400°Cat760mmHg
• PKA: 3.22±0.10(Predicted)
• Flash Point: 156.7°C
• PSA: 89.90000
• Density: 1.344g/cm³
• LogP: 1.23540
• Storage Temp.: 2-8°C
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 238.04773803
• Heavy Atom Count: 17
• Complexity: 324

Purity/Quality:

99% ^*data from raw suppliers

Dipyrocetyl ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1=CC=CC(=C1OC(=O)C)C(=O)O
• Uses: Dipyrocetyl, has shown some antiinflammatory and antiarthritic activities.

Technology Process of Dipyrocetyl

There total 5 articles about Dipyrocetyl 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: 98.0%

2,3-Dihydroxybenzoic acid (303-38-8) + acetic anhydride (108-24-7) → 2,3-diacetoxybenzoic acid (486-79-3)

Guidance literature:

sulfuric acid; In diethyl ether; for 12h;

DOI:10.1021/jo01297a008

Reference yield:

2,3-Dihydroxybenzoic acid (303-38-8) → 2,3-diacetoxybenzoic acid (486-79-3)

Guidance literature:

With hydrogenchloride; sodium hydroxide; acetic anhydride; In phosphorus pentaoxide; (2S)-N-methyl-1-phenylpropan-2-amine hydrate; water;

Reference yield:

2,3-bis(acetyloxy)phenylcarbonyl acetate → 2,3-diacetoxybenzoic acid (486-79-3)

Guidance literature:

With water; Cooling with ice;

DOI:10.1039/c0dt00363h

upstream raw materials:

2,3-Dihydroxybenzoic acid

acetic anhydride

2,3-dihydroxybenzaldehyde

3,4-(diacetyloxy)benzoyl chloride

Downstream raw materials:

C₆₀H₁₀₀O₉

1,3,5-N,N',N-tris(2,3-dihydroxybenzoyl)triaminomethylbenzene

Refernces

• 1、 Peukert, Carsten,Langer, Laura N. B.,Wegener, Sophie M.,Tutov, Anna,Bankstahl, Jens P.,Karge, Bianka,Bengel, Frank M.,Ross, Tobias L.,Br?nstrup, Mark. "Optimization of Artificial Siderophores as 68Ga-Complexed PET Tracers for in Vivo Imaging of Bacterial Infections". . p. 12359 - 12378. Retrieved 2021/09/02.
• 2、 Albrecht, Markus,Baumert, Miriam,Winkler, Henrick D. F.,Schalley, Christoph A.,Froehlich, Roland. "Hierarchical self-assembly of metallo-dendrimers". . p. 7220 - 7222. Retrieved 2010/09/06.