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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

3-Phorbinepropanoic acid,9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-,(3S,4S,21R)-

COC(=O)[C@@H]1C2=C3C(=C(C(N3)/C=c/3[nH]/c(=Cc4[nH]c(/C=C/5N=C2[C@@H](CCC(=O)O)[C@@H]5C)c(C)c4C=C)/c(c3CC)C)C)C1=O Request for Quotation
Chemical Name: 3-Phorbinepropanoic acid,9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-,(3S,4S,21R)-
CAS Number: 15664-29-6
Product Number: AG001OVH(AGN-PC-0Q757B)
Synonyms:
MDL No:
Molecular Formula: C35H38N4O5
Molecular Weight: 594.7000

Identification/Properties

Properties
MP:
191-195℃
Storage:
Inert atmosphere;-10 ℃;
Form:
Solid
Solubility:
DMSO: soluble0.5mg/mL, clear (warmed)
Computed Properties
Molecular Weight:
592.696g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
9
Rotatable Bond Count:
7
Exact Mass:
592.269g/mol
Monoisotopic Mass:
592.269g/mol
Topological Polar Surface Area:
133A^2
Heavy Atom Count:
44
Formal Charge:
0
Complexity:
1810
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
3
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information

GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


3-Phorbinepropanoic acid, 9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-, (3S,4S,21R)- is a valuable compound in chemical synthesis due to its unique structural features and reactivity. This compound can serve as a versatile building block in the synthesis of complex organic molecules and pharmaceuticals.With its conjugated system and functional groups, 3-Phorbinepropanoic acid, 9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-, (3S,4S,21R)- offers opportunities for various chemical transformations such as nucleophilic additions, condensations, and rearrangements. Its rigid and planar structure also enables it to participate in interesting intramolecular reactions leading to diverse products.In chemical synthesis, this compound can be employed as a key intermediate for the preparation of porphyrin derivatives, which are important in the fields of biochemistry, materials science, and catalysis. Additionally, its structural resemblance to natural products allows for the design and synthesis of bioactive compounds with potential pharmaceutical applications.Overall, 3-Phorbinepropanoic acid, 9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-, (3S,4S,21R)- serves as a valuable tool in the hands of synthetic chemists for the creation of new molecules and functional materials.