Mexoryl

Base Information

• Chemical Name: Mexoryl
• CAS No.: 92761-26-7
• Molecular Formula: C₂₈H₃₄O₈S₂
• Molecular Weight: 562.705
• European Community (EC) Number: 410-960-6,922-216-2,804-567-2
• UNII: M94R1PM439
• DSSTox Substance ID: DTXSID80869056
• Wikipedia: Ecamsule
• NCI Thesaurus Code: C87221
• Mol file: 92761-26-7.mol

Synonyms:3,3'-(1,4-phenylenedimethylidyne)bis(7,7-dimethyl-2-oxobicyclo(2.2.1)heptane-1-methanesulfonic acid);Ecamsule;Mexoryl SX;terephthalylidene dicamphor sulfonic acid

Chemical Property of Mexoryl

Chemical Property:

• Melting Point: 255° (dec)
• Boiling Point: °Cat760mmHg
• PKA: 0.86±0.50(Predicted)
• Flash Point: °C
• PSA: 159.64000
• Density: 1.424g/cm³
• LogP: 6.40120
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 562.16951039
• Heavy Atom Count: 38
• Complexity: 1230

Purity/Quality:

99.9% ^*data from raw suppliers

Ecamsule ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C2CCC1(C(=O)C2=CC3=CC=C(C=C3)C=C4C5CCC(C4=O)(C5(C)C)CS(=O)(=O)O)CS(=O)(=O)O)C
• Isomeric SMILES: CC1(C2(C(=O)/C(=C/C3=CC=C(C=C3)/C=C\4/C(=O)C5(C(C4CC5)(C)C)CS(=O)(=O)O)/C1CC2)CS(=O)(=O)O)C
• Uses: endoparasitic Ecamsule can be used in biological study and cosmetic use of polyhydroxy fullerene sunscreen active agents and compositions.

Technology Process of Mexoryl

There total 5 articles about Mexoryl 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: 97.0%

disodium terephthalylidene dicamphor sulfonic acid → terephthalylidene dicamphor sulfonic acid (92761-26-7)

Guidance literature:

With TRILITE SCR-BH; In water; Reagent/catalyst; Large scale;

Reference yield: 82.31%

camphorsulfonic acid + terephthalaldehyde, (623-27-8) → C28H34O8S2 (92761-26-7)

Guidance literature:

camphorsulfonic acid; With sodium t-butanolate; In 1-methyl-pyrrolidin-2-one; at 40 - 50 ℃; for 0.166667h;

terephthalaldehyde,; With terephthalic acid; In 1-methyl-pyrrolidin-2-one; at 55 ℃; for 1h; Solvent; Temperature; Reagent/catalyst;

Reference yield:

dipotassium terephthalylidene dicamphor sulfonic acid → terephthalylidene dicamphor sulfonic acid (92761-26-7)

Guidance literature:

With TRILITE SCR-BH; In water; at 20 ℃; for 5h;

upstream raw materials:

camphor-10-sulfonic acid

terephthalaldehyde,

Refernces

• 1、 -. "Synthetic method of sun-screening agent intermediate terephthalylidene dicamphor sulfonic acid". Paragraph 0037-0059. . Retrieved 2019/09/13.