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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)-

Butanoic acid, 4-cyano-3-hydroxy-, ethyl ester, (3R)-

CCOC(=O)C[C@@H](CC#N)O Request for Quotation
Chemical Name: Butanoic acid, 4-cyano-3-hydroxy-, ethyl ester, (3R)-
CAS Number: 141942-85-0
Product Number: AG001HFS(AGN-PC-0O2BJE)
Synonyms:
MDL No: MFCD00270839
Molecular Formula: C7H11NO3
Molecular Weight: 157.1671

Identification/Properties

Properties
BP:
270°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.448(lit.)
Computed Properties
Molecular Weight:
157.169g/mol
XLogP3:
-0.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
5
Exact Mass:
157.074g/mol
Monoisotopic Mass:
157.074g/mol
Topological Polar Surface Area:
70.3A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
170
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
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:
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 enantiomerically pure form of Ethyl (R)-(-)-4-cyano-3-hydroxybutyrate plays a crucial role in chemical synthesis as a valuable building block in the preparation of various pharmaceutical compounds and fine chemicals. Its unique stereochemistry allows for precise control over the stereochemical outcome of subsequent reactions, making it a versatile intermediate in organic synthesis. Ethyl (R)-(-)-4-cyano-3-hydroxybutyrate can serve as a key component in the synthesis of chiral molecules, such as pharmaceuticals, agrochemicals, and natural products, where stereochemical purity is essential for their biological activity and efficacy. Its strategic incorporation in multi-step synthetic routes enables the efficient production of complex molecules with desired stereochemical configurations, making it a valuable resource in the realm of chemical synthesis.