136781-39-0

Basic information

• Product Name: 3-(acetylamino)butanoic acid(SALTDATA: FREE)
• Synonyms: 3-(acetylamino)butanoic acid(SALTDATA: FREE);3-(acetylaMino)butanoic acid;3-acetamidobutanoic acid;3-acetamidobutyric acid
• CAS NO: 136781-39-0
• Molecular Formula: C₆H₁₁NO₃
• Molecular Weight: 145.15644
• Mol File: 136781-39-0.mol

Chemical Properties

• Boiling Point: 376.2°C at 760 mmHg
• Flash Point: 181.3°C
• Appearance: /
• Density: 1.129g/cm³
• Vapor Pressure: 1.07E-06mmHg at 25°C
• Refractive Index: 1.456
• CAS DataBase Reference: 3-(acetylamino)butanoic acid(SALTDATA: FREE)(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(acetylamino)butanoic acid(SALTDATA: FREE)(136781-39-0)
• EPA Substance Registry System: 3-(acetylamino)butanoic acid(SALTDATA: FREE)(136781-39-0)

Safety Data

• Hazardous Substances Data: 136781-39-0(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
3-(acetylamino)butanoic acid(SALTDATA: FREE) is used as an intermediate in the synthesis of pharmaceuticals and other organic compounds. Its unique chemical structure allows it to be incorporated into various drug molecules, contributing to the development of new medications and therapies.
Used in Organic Chemistry:
3-(acetylamino)butanoic acid(SALTDATA: FREE) is also used in organic chemistry as a building block for the synthesis of more complex organic compounds. Its versatility and reactivity make it a valuable component in the creation of a wide range of chemical products.
Used in Research and Development:

InChI:InChI=1/C6H11NO3/c1-4(3-6(9)10)7-5(2)8/h4H,3H2,1-2H3,(H,7,8)(H,9,10)

Upstream product

• 43135-01-9 3-(Acetylamino)buttersaeure-methylester 
• 497262-04-1 (Z)-3-acetamidobut-2-enoic acid 
• 67654-56-2 methyl (E)-3-acetamino-2-butenoate 
• 72569-97-2 methyl (Z)-3-acetamido-2-butenoate 

Relevant articles and documents

N-Acetyl-(R,S)-beta-Amino Acid Acylase Gene

The present invention provides genes that encode the N-acetyl-(R,S)-β-amino acid acylases. The N-acetyl-(R,S)-β-amino acid acylases were isolated and purified from bacterial cells and the nucleotide sequences were determined. A host, such as Escherichia coli, was used to construct a high-expression system for these genes. The N-acetyl-(R)-β-amino acid acylase produced by Burkholderia sp. AJ110349 (FERM BP-10366) includes, for example, the protein having the amino acid sequence shown in SEQ. ID. NO. 8. The gene encoding this enzyme includes, for example, the DNA having the nucleotide sequence as shown in SEQ. ID. NO. 7. The N-acetyl-(S)-β-amino acid acylase produced by Burkholderia sp. AJ110349 (FERM BP-10366) includes, for example, the protein having the amino acid sequence shown in SEQ. ID. NO. 10. The gene encoding this enzyme includes, for example, the DNA having the nucleotide sequence shown inshown in SEQ. ID. NO. 9. The N-acetyl-(R)-β-amino acid acylase produced by Variovorax sp. AJ110348 (FERM BP-10367) includes, for example, the protein comprised of the amino acid sequence shown in SEQ. ID. NO. 12. The gene encoding this enzyme includes, for example, the DNA having the nucleotide sequence shown inshown in SEQ. ID. NO. 11.

Chiral oxo- and oxy-functionalized diphosphane ligands derived from camphor for rhodium(I)-catalyzed enantioselective hydrogenation

The synthesis of two series of diastereomeric oxo- and oxysubstituted diphosphanes 7a-9a and 7b-9b, as well as an analogous nonfunctionalized diphosphane 17, was performed starting from (R)-camphor. The new diphosphanes were used as ligands in the enantioselective rhodium(I)-catalyzed hydrogenation of functionalized olefins - α- and β-de hydroamino acids and their esters - in order to elucidate the effect of the oxo- and oxy-functional groups. The enantioselectivities, ranging from 2-90% ee, and the rates were strongly dependent on the type and relative position of the oxo or oxy substituent in the catalyst. Possible explanations for the effects are given. Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2003.

Enantioselective synthesis of β-amino acids based on BINAP-ruthenium(II) catalyzed hydrogenation

BINAP-Ru(II) catalyzed hydrogenation of β-substituted (E)-β-(acylamino)acrylic acids allows efficient enantioselective synthesis of β-amino acids. The Z double bond isomers which possess an intramolecular hydrogen bond between amide and ester groups are more reactive but are hydrogenated with poor enantioselectivity. BINAP-Rh(I) complexes afford only moderate stereoselectivity with the opposite sense of enantioselection.