CID 5225086

Base Information

Chemical Name:CID 5225086
CAS No.:59086-90-7
Molecular Formula:C₃₄H₃₆O₇
Molecular Weight:556.656
Hs Code.:
European Community (EC) Number:637-387-6
Wikidata:Q27165625
Mol file:59086-90-7.mol

Synonyms:Ingenol 3,20-dibenzoate;CHEBI:93871;LSM-4445;BRD-A52650764-001-01-0;Q27165625;(4-Benzoyloxy-5,6-dihydroxy-3,11,11,14-tetramethyl-15-oxo-7-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl)methyl benzoate

Suppliers and Price of CID 5225086

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
Ingenol3,20-Dibenzoate
5mg
$ 1135.00

ChemScene
Ingenol3,20-dibenzoate
25mg
$ 1900.00

ChemScene
Ingenol3,20-dibenzoate
10mg
$ 980.00

ChemScene
Ingenol3,20-dibenzoate
5mg
$ 580.00

Total 11 raw suppliers

Chemical Property of CID 5225086

Chemical Property:

Appearance/Colour:White to off-white powder.
Vapor Pressure:2.15E-20mmHg at 25°C
Boiling Point:697 °C at 760 mmHg
Flash Point:221.6 °C
PSA：110.13000
Density:1.32 g/cm³
LogP:4.54460
Storage Temp.:−20°C
Solubility.:Acetontrile (Slightly), Chloroform (Slightly)
XLogP3:4.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:556.24610348
Heavy Atom Count:41
Complexity:1160

Purity/Quality:

≥98% ^*data from raw suppliers

Ingenol3,20-Dibenzoate ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn
Hazard Codes:Xn
Statements: 20/21/22
Safety Statements: 26-36

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1CC2C(C2(C)C)C3C=C(C(C4(C1(C3=O)C=C(C4OC(=O)C5=CC=CC=C5)C)O)O)COC(=O)C6=CC=CC=C6
Uses Ingenol 3,20-dibenzoate is an activator of protein kinase C (PKC) and apoptotic inducer.

Technology Process of CID 5225086

There total 10 articles about CID 5225086 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: 67.0%

: 77495-85-3
ingenol 3,5-dibenzoate

: 59086-90-7
Ingenol dibenzoate

: 256427-36-8
20-deoxy-20-fluoroingenol 3,5-dibenzoate

Guidance literature:: With 4,4'-diaminostilbene-2,2'-disulfonic acid; In dichloromethane; at -78 ℃; for 2h;
DOI:10.1002/(SICI)1099-0690(199912)1999:12<3413::AID-EJOC3413>3.0.CO;2-S

Reference yield: 64.0%

: 98-88-4
benzoyl chloride

: 83036-64-0
Ingenol-3-benzoate

: 59086-90-7
Ingenol dibenzoate

Guidance literature:: With pyridine; In dichloromethane; for 1h;

Reference yield: 42.0%

: 30220-46-3
ingenol

: 65-85-0,8013-63-6
benzoic acid

: 83036-64-0
Ingenol-3-benzoate

: 59086-90-7
Ingenol dibenzoate

Guidance literature:: With dmap; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; In dichloromethane; at -18 ℃; for 72h;
DOI:10.1002/(SICI)1099-0690(199912)1999:12<3413::AID-EJOC3413>3.0.CO;2-S