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HomeProduct name list(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

  • CAS NO.:1012341-50-2
  • Empirical Formula: C23H29NO4
  • Molecular Weight: 383.48
  • MDL number: MFCD27955981
  • EINECS: 1592732-453-0
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-02-06 18:17:50
(2R,4S)-5-([1,1'-biphenyl]-4-yl)-4-((tert-butoxycarbonyl)aMino)-2-Methylpentanoic acid Structural

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

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

(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.

Synthesis

Dissolve 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.

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

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
pka 4?+-.0.23(Predicted)
color  White to Off-White
InChI InChI=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

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

Signal word Warning
Pictogram(s)
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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

InChIKey YNELJETWNMPEEH-OXDNQSQGNA-N
SMILES C(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|

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