Cholesterol Formate

Base Information

• Chemical Name: Cholesterol Formate
• CAS No.: 4351-55-7
• Molecular Formula: C28H46 O2
• Molecular Weight: 414.672
• Hs Code.: 29151300
• European Community (EC) Number: 224-416-9
• DSSTox Substance ID: DTXSID30963018
• Nikkaji Number: J205.725E
• Wikidata: Q72460706
• Mol file: 4351-55-7.mol

Synonyms:Cholesterol Formate;Cholesteryl formate;4351-55-7;3beta-Acetoxy-cholest-5-ene;Cholest-5-en-3beta-yl formate;EINECS 224-416-9;[(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] formate;Cholest-5-en-3-ol (3.beta.)-, formate;5-Cholesten-3.beta.-ol formate;cholesterol ester 14:0;cholesterol ester 14:1;cholesterol ester 15:0;cholesterol ester 15:1;cholesterol ester 16:0;cholesterol ester 17:0;cholesterol ester 18:0;cholesterol ester 20:0;cholesterol ester 20:6;cholesterol ester 22:0;Cholest-5-en-3-yl formate;Formic Acid Cholesterol Ester;SCHEMBL1045464;DTXSID30963018;CHEBI:191860;CHEBI:191861;CHEBI:191862;CHEBI:191863;CHEBI:191864;CHEBI:191865;CHEBI:191866;CHEBI:191867;CHEBI:191868;CHEBI:191869;MFCD00046243;AKOS015837667;CE 20:6;(3I(2))-cholest-5-en-3-yl methanoate;CE(20:6);Cholest-5-en-3-yl formate, (3.beta.)-;CS-0183060;W-106223

Chemical Property of Cholesterol Formate

Chemical Property:

• Vapor Pressure: 1.22E-09mmHg at 25°C
• Melting Point: 95oC
• Boiling Point: 487.1°Cat760mmHg
• Flash Point: 206.2°C
• PSA: 26.30000
• Density: 1g/cm³
• LogP: 8.20530
• XLogP3: 9.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 414.349780706
• Heavy Atom Count: 30
• Complexity: 651

Purity/Quality:

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

CHOLESTERYL FORMATE ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: 24/25

MSDS Files:

Useful:

• Canonical SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC=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)C)C

Technology Process of Cholesterol Formate

There total 31 articles about Cholesterol Formate 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%

cholesterol (57-88-5) + formic acid ethyl ester (109-94-4) → cholesteryl formate (4351-55-7)

Guidance literature:

With copper(II) nitrate; for 1.5h; Heating;

DOI:10.1080/00397919808007166

Reference yield: 98.0%

formic acid (64-18-6) + cholesterol (57-88-5) → cholesteryl formate (4351-55-7)

Guidance literature:

formic acid; With silica gel; at 20 ℃; for 0.0166667h;

cholesterol; With silica gel; at 110 ℃; for 0.1h;

Reference yield: 97.0%

oxalyl dichloride (79-37-8) + cholesterol (57-88-5) → cholesteryl formate (4351-55-7)

Guidance literature:

oxalyl dichloride; With N,N-dimethyl-formamide; In dichloromethane; for 0.166667h; Cooling;

cholesterol; In dichloromethane; at 20 ℃; for 0.5h;

DOI:10.1007/s11172-010-0079-2

upstream raw materials:

formic acid

cholesterol

Vilsmeier reagent

N,N-dimethyl-formamide

Downstream raw materials:

1,3,5-Tri-tert-butylbenzene

2,4,6-tri(tert-butyl)benzaldehyde