Cholesterol Hydrogen Phthalate

Base Information

• Chemical Name: Cholesterol Hydrogen Phthalate
• CAS No.: 6732-01-0
• Molecular Formula: C35H50 O4
• Molecular Weight: 534.78
• European Community (EC) Number: 229-783-9
• NSC Number: 59691
• DSSTox Substance ID: DTXSID701306246
• Nikkaji Number: J151.248J
• Mol file: 6732-01-0.mol

Synonyms:Cholesterol Hydrogen Phthalate;6732-01-0;CHOLESTERYL HYDROGEN PHTHALATE;EINECS 229-783-9;Cholest-5-en-3beta-yl hydrogen phthalate;NSC 59691;2-[[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonyl]benzoic acid;2-{[(3beta)-cholest-5-en-3-yloxy]carbonyl}benzoic acid;C35H50O4;C35-H50-O4;Phthalic Acid Monocholesterol Ester;NSC59691;MFCD00046245;cholesterol hydrogen-phthalate;SCHEMBL1296888;DTXSID701306246;NSC-59691;AKOS015838964;Cholest-5-ene-3.beta.-yl hydrogen phthalate;CS-0183062;F87435;Cholest-5-en-3-ol (3.beta.)-, hydrogen 1,2-benzenedicarboxylate

Chemical Property of Cholesterol Hydrogen Phthalate

Chemical Property:

• Vapor Pressure: 7.89E-17mmHg at 25°C
• Melting Point: 163 °C
• Boiling Point: 631.8°C at 760 mmHg
• PKA: 3.36±0.36(Predicted)
• Flash Point: 191.8°C
• PSA: 63.60000
• Density: 1.11g/cm³
• LogP: 8.95160
• XLogP3: 10.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 534.37091007
• Heavy Atom Count: 39
• Complexity: 937

Purity/Quality:

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

Cholesterolhydrogenphthalate 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C5=CC=CC=C5C(=O)O)C)C
• Isomeric SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C5=CC=CC=C5C(=O)O)C)C

Technology Process of Cholesterol Hydrogen Phthalate

There total 3 articles about Cholesterol Hydrogen Phthalate 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%

phthalic anhydride (85-44-9) + cholesterol (57-88-5) → cholesteryl hydrogen phthalate (6732-01-0)

Guidance literature:

With triethylamine; In chloroform; at 20 ℃; for 15h;

DOI:10.1002/pola.28709

Reference yield:

phthalic anhydride (85-44-9) + cholesterol (57-88-5) → cholesteryl hydrogen phthalate (6732-01-0)

Guidance literature:

With carbon dioxide; at 150 ℃;

Reference yield:

→ Cholesteryl-hydrogen-phthalat (6732-01-0)

Guidance literature:

Phthalsaeure-anhydrid, 1.) CaH2, Siedetemp., 2.) Cholesterin, Butanol-(1);

DOI:10.1007/BF00905486

upstream raw materials:

phthalic anhydride

cholesterol

cholesterol

Refernces