1314557-04-4

Basic information

• Product Name: (3R)-3-propyl-4-((S)-1'-phenylethylamino)butanoic acid
• Synonyms: (3R)-3-propyl-4-((S)-1'-phenylethylamino)butanoic acid
• CAS NO: 1314557-04-4
• Molecular Weight: 249.353
• Mol File: 1314557-04-4.mol
• Article Data: 5

Chemical Properties

• CAS DataBase Reference: (3R)-3-propyl-4-((S)-1'-phenylethylamino)butanoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: (3R)-3-propyl-4-((S)-1'-phenylethylamino)butanoic acid(1314557-04-4)
• EPA Substance Registry System: (3R)-3-propyl-4-((S)-1'-phenylethylamino)butanoic acid(1314557-04-4)

Safety Data

• Hazardous Substances Data: 1314557-04-4(Hazardous Substances Data)

Upstream product

• 2627-86-3 (S)-1-phenyl-ethylamine 
• 78920-10-2 5-hydroxy-4-n-propyl-2,5-dihydrofuran-2-one 
• 1314556-94-9 5-hydroxy-1-[1-((S)-phenyl)-ethyl]-4-n-propyl-1,5-dihydro-pyrrol-2-one 
• 110-62-3 pentanal 

Downstream Products

• 1315473-74-5 (R,S)-3-[(1-phenylethylamino)-methyl]-hexanoic acid hydrochloride 
• 18531-99-2 (S)-[1,1']-binaphthalenyl-2,2'-diol 

Relevant articles and documents

Resolution of (RS)-Binol through co-crystal formation with 3-n-propyl-4-((R/S)-1′-phenylethylamino)butanoic acid

A method for the optical resolution of (RS)-Binol to obtain optically pure (S)-Binol (99% ee) through co-crystal formation with (RS)-3-n-propyl-4-((S)- 1′-phenylethylamino)butanoic acid (3RS, 1′S) and similarly optically pure (R)-Binol (99% ee) through co-crystal formation with (RS)-3-n-propyl-4- ((R)-1′-phenylethylamino)butanoic acid (3RS,1′R), in high yield is reported. The individual co-crystal of optically pure (S)-3-n-propyl-4-((S)- 1′-phenylethylamino)butanoic acid (3S,1′S) (99% ee) with (S)-Binol, and (R)-3-n-propyl-4-((S)-1′-phenylethylamino)butanoic acid (3R,1′S) (90% ee) with (S)-Binol have been analyzed by single crystal X-ray diffraction to understand hydrogen bonding in the crystal structure and the chiral recognition parameters.

THREE COMPONENT CO-CRYSTAL FORMATION BETWEEN DIASTEREOMERIC MIXTURES OF 3-ALKYL-4-((S)-1'PHENYLETHYLAMINO) BUTANOIC ACID AND OPTICALLY PURE 1, 1'-BI-2-NAPHTHOL

A ternary co-crystal consisting of 1 :0.5:0.5 molar proportion of (S)-1,1'-bi-2-naphthol, 3(S)-propyl-4-[(S)1 '-phenyl-ethylamino]-butanoic acid and 3(R)-propyl-4-[(S)1'- phenyl-ethylamino]-butanoic acid having characteristic powder X-ray diffraction pattern with 2Θ values of 8.41, 9.38, 10.32, 12.16, 15.52, 15.51, 17.84, 17.95, 19.16, 20.37, 21.74, 22.55, 24.44, 25.65, 28.40, 29.15, 29.69, 31.31, 33.54, 34.40, 35.43 (±0.2) and having differential scanning calorimetric peak at about 189.23 ° C when analyzed at the rate of heating of 10°C per minute and process for preparing the same. A process for resolution of (S)-1,1'-bi-2-naphthol from RS-1,1'-bi-2-naphthol.

METHOD OF RESOLUTION OF (RS) - 1, 1 ' - BI - 2 - NAPHTHOL FOR OBTAINING ENANTIOMERIC PURE I.E. (S) - (-) " 1, 1 ' "BI - 2 -NAPHTHOL AND/OR (R) - ( ) - 1, 1 ' - BI - 2 - NAPHTHOL VIA CO - CRYSTAL FORMATION WITH OPTICALLY ACTIVE DERIVATIVES OF GAMMA -AMINO ACIDS

Novel method for synthesis of optically pure (S)-(-)-1,1'-bi-2-naphthol and/or (R)-(+)-1,1'-bi-2-naphthol via resolution of racemic (RS)-1,1'-bi-2-naphthol through formation of co-crystal with optically active derivatives of γ -amino acids.