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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)-

4-Pentenoic acid, 3-hydroxy-, 1,1-dimethylethyl ester

C=CC(CC(=O)OC(C)(C)C)O Request for Quotation
Chemical Name: 4-Pentenoic acid, 3-hydroxy-, 1,1-dimethylethyl ester
CAS Number: 122763-67-1
Product Number: AG000JFH(AGN-PC-00FSAH)
Synonyms:
MDL No:
Molecular Formula: C9H16O3
Molecular Weight: 172.2215

Identification/Properties

Computed Properties
Molecular Weight:
172.224g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
5
Exact Mass:
172.11g/mol
Monoisotopic Mass:
172.11g/mol
Topological Polar Surface Area:
46.5A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
167
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


The tert-Butyl 3-hydroxy-4-pentenoate is a versatile compound widely used in chemical synthesis as a key intermediate in the production of various organic molecules. Its unique structure and reactivity make it valuable in the preparation of a range of functionalized organic compounds through various synthetic routes. The presence of the tert-butyl group provides steric hindrance, which can influence the regioselectivity and stereochemistry of reactions involving this compound. Additionally, the hydroxy and pentenoate functionalities offer opportunities for further functionalization through various chemical transformations such as oxidation, reduction, or substitution reactions. In organic synthesis, tert-Butyl 3-hydroxy-4-pentenoate serves as a valuable building block for the construction of more complex molecules with specific properties and applications in pharmaceuticals, agrochemicals, and materials science.