ChemicalBook Product Catalog Organic Chemistry Carboxylic acids and derivatives Cyclic carboxylic acids (2R,4S)-5-([1,1'-biphenyl]-4-yl)-4-((tert-butoxycarbonyl)aMino)-2-Methylpentanoic acid

(2R,4S)-5-([1,1'-biphenyl]-4-yl)-4-((tert-butoxycarbonyl)aMino)-2-Methylpentanoic acid

(2R,4S)-5-([1,1'-biphenyl]-4-yl)-4-((tert-butoxycarbonyl)aMino)-2-Methylpentanoic acid Basic information
Product Name:(2R,4S)-5-([1,1'-biphenyl]-4-yl)-4-((tert-butoxycarbonyl)aMino)-2-Methylpentanoic acid
Synonyms:(2R,4S)-5-([1,1'-biphenyl]-4-yl)-4-((tert-butoxycarbonyl)aMino)-2-Methylpentanoic acid;LCZ696 inter.;LCZ-696-001-SS;LCZ696-24;(2R,4S)-5-(4-Biphenylyl)-4-(Boc-amino)-2-methylpentanoic Acid;(2R,4S)-5-(Biphenyl-4-yl)-4-[(tert-butoxycarbonyl) amino]-2-methylpentanoic acid AHU84;(2R, 4S) -5- (biphenyl-4-yl) -4-[(tert-butoxycarbonyl) amino] -2-methylvaleric acid;LCZ696S-01
CAS:1012341-50-2
MF:C23H29NO4
MW:383.48
EINECS:1592732-453-0
Product Categories:1;intermediates;LCZ696;intermediate;032-LCZ696;1012341-50-2
Mol File:1012341-50-2.mol
(2R,4S)-5-([1,1'-biphenyl]-4-yl)-4-((tert-butoxycarbonyl)aMino)-2-Methylpentanoic acid Structure
(2R,4S)-5-([1,1'-biphenyl]-4-yl)-4-((tert-butoxycarbonyl)aMino)-2-Methylpentanoic acid Chemical Properties
Melting point 145-147°C
Boiling point 582.6±50.0 °C(Predicted)
density 1.115±0.06 g/cm3(Predicted)
storage temp. 2-8°C
solubility Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly, Sonicated)
form Solid
pka4?+-.0.23(Predicted)
color White to Off-White
InChIInChI=1/C23H29NO4/c1-16(21(25)26)14-20(24-22(27)28-23(2,3)4)15-17-10-12-19(13-11-17)18-8-6-5-7-9-18/h5-13,16,20H,14-15H2,1-4H3,(H,24,27)(H,25,26)/t16-,20+/s3
InChIKeyYNELJETWNMPEEH-OXDNQSQGNA-N
SMILESC(O)(=O)[C@H](C)C[C@H](NC(OC(C)(C)C)=O)CC1=CC=C(C2=CC=CC=C2)C=C1 |&1:3,6,r|
Safety Information
MSDS Information
(2R,4S)-5-([1,1'-biphenyl]-4-yl)-4-((tert-butoxycarbonyl)aMino)-2-Methylpentanoic acid Usage And Synthesis
Uses(2R,4S)-5-(Biphenyl-4-yl)-4-[(tert-butoxycarbonyl)amino]-2-methylpentanoic Acid is a useful building block in the synthesis of various pharmaceuticals. Could be useful for treating bacterial infectious disease.
SynthesisDissolve 2g [Ru] catalyst (diiodo(p-cymene) ruthenium(II) dimer) and 1.3g (R,R)-Me-Duphos in 20mL toluene, and react at 65-70 for one hour , Prepared as a chiral catalyst. Add the toluene solution of the above chiral catalyst into a clean hydrogenation kettle, and sequentially add SM1 (763g), 202g triethylamine, and 16L methanol solvent, and then seal the hydrogenation kettle to replace the nitrogen for three times and then replace the hydrogen for three times (0.4-0.5MPa) The reaction was carried out at 55°C for 12 hours under pressure, and the reaction liquid was taken for liquid phase detection. The conversion rate of reaction SM1 reached 99.99%. The reaction solution is filtered and concentrated, and the pure (2R,4S)-5-([1,1'-biphenyl]-4-yl)-4-((tert-butoxycarbonyl)aMino)-2-Methylpentanoic acid can be obtained by beating with n-hexane and ethyl acetate (1:1); the yield is 96.1%, and the product is an off-white solid.
(R,E)-ethyl 5-([1,1'-biphenyl]-4-yl)-4-((tert-butoxycarbonyl)aMino)-2-Methylpent-2-enoate (2S,4R)-5-(Biphenyl-4-yl)-4-[(tert-butoxycarbonyl)amino]-2-methylpentanoic acid (2R,4S)-4-([1,1'-Biphenyl]-4-ylmethyl)-2-methyl-4-(2,5-dioxopyrrolidin-1-yl)butanoic acid (2R,4S)-ethyl 5-([1,1'-biphenyl]-4-yl)-4-((tert-butoxycarbonyl)aMino)-2-Methylpentanoate LCZ Impurity Sacubitril Impurity 72 Valsartan 2-Pyrrolidinone, 5-([1,1'-biphenyl]-4-ylMethyl)-3-Methyl-, (3R,5S)- sacubitril Ethyl (2R,4S)-4-([1,1'-biphenyl]-4-ylmethyl)-2-methyl-4-(2,5-dioxopyrrolidin-1-yl)butanoate AHU-377 (heMicalciuM salt) LCZ696 ((R)-2-biphenyl-4-yl-1-forMylethyl)carbaMic acid t-butyl ester (S)-5-[(Biphenyl-4-yl)methyl]-1-(2,2-dimethylpropionyl)pyrrolidin-2-one (2R,4S)-4-([1,1'-Biphenyl]-4-ylmethyl)-4-(4-ethoxy-4-oxobutanamido)-2-methylbutanoic acid LCZ696 InteMediate (2R,4R)-5-(Biphenyl-4-yl)-4-[(tert-butoxycarbonyl)amino]-2-methylpentanoic acid (2R,4S)-ethyl 5-([1,1'-biphenyl]-4-yl)-4-aMino-2-Methylpentanoate
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