Gallein

Base Information

• Chemical Name: Gallein
• CAS No.: 2103-64-2
• Deprecated CAS: 52413-17-9,1071611-27-2
• Molecular Formula: C20H12 O7
• Molecular Weight: 364.311
• Hs Code.: 2932999099
• European Community (EC) Number: 218-272-6
• NSC Number: 622478,56445,8668
• UNII: 8L0084U2QR
• DSSTox Substance ID: DTXSID5062180
• Nikkaji Number: J34.103G
• Wikidata: Q2119993
• Metabolomics Workbench ID: 144443
• ChEMBL ID: CHEMBL4469620
• Mol file: 2103-64-2.mol

Synonyms:gallein

Chemical Property of Gallein

Chemical Property:

• Melting Point: >300°C
• Refractive Index: 1.6120 (estimate)
• Boiling Point: 687.4°Cat760mmHg
• PKA: 5.99(at 25℃)
• Flash Point: 255.2°C
• PSA: 116.45000
• Density: 1.81g/cm³
• LogP: 3.07700
• Storage Temp.: 2-8°C
• Solubility.: Solubility Almost insoluble in water, benzene, chloroform; solub
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 364.05830272
• Heavy Atom Count: 27
• Complexity: 579

Purity/Quality:

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

Gallein ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)OC23C4=C(C(=C(C=C4)O)O)OC5=C3C=CC(=C5O)O
• Uses: Gallein inhibits neutrophil chemotaxis and inflammation, via the disruption of G protein βγ subunit signaling.

Technology Process of Gallein

There total 4 articles about Gallein 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: 96.0%

phthalic anhydride (85-44-9) + 2-hydroxyresorcinol (87-66-1) → gallein (2103-64-2)

Guidance literature:

With Zn_0.95*Ti_0.05O; In neat (no solvent); at 160 ℃; for 1h; Green chemistry;

DOI:10.1016/j.catcom.2018.11.008

Reference yield: 47.0%

phthalic anhydride (85-44-9) + recorcinol (108-46-3) → gallein (2103-64-2)

Guidance literature:

In phosphoric acid; for 0.00694444h; Microwave irradiation;

DOI:10.1135/cccc20021779

Reference yield:

phthalic anhydride (85-44-9) + 3,4,5-trihydroxybenzoic acid (149-91-7) → gallein (2103-64-2)

Guidance literature:

at 220 - 235 ℃;

upstream raw materials:

phthalic anhydride

3,4,5-trihydroxybenzoic acid

2-hydroxyresorcinol

recorcinol

Downstream raw materials:

benzoic acid

oxalic acid

benzene-1,2-dicarboxylic acid

2-(3,4,5,6-tetrahydroxy-xanthen-9-yl)-benzoic acid

Refernces

• 1、 Jadhav, Nirajkumar H.,Shinde, Dnyaneshwar R.,Sakate, Sachin S.,Rasal, Nishant K.,Pawar, Ramdas A.. "Ti(IV) doping: An effective strategy to boost Lewis acidic performance of ZnO catalyst in fluorescein dye synthesis". . p. 17 - 22. Retrieved 2018/11/25.
• 2、 -. "High purity phthalein derivatives and method for preparing same". Page/Page column 7. . Retrieved 2008/06/13.