Acetyl-β-alanine

White Cyrstalline Solid

N-acetyl-beta-alanine is the N-acetyl derivative of beta-alanine. It is a N-acetyl-amino acid and a beta-alanine derivative. It is a conjugate acid of a N-acetyl-beta-alaninate.

In a 250 mL reaction flask, Add 180 mL of chloroform, 30 g of β-alanine (0.337 mol)37.8 g of acetic anhydride (0.371 mol), Heating up to 60 , Reaction for 5 hours, Sampling ninhydrin does not develop color, Cooling to 4 , Stirring for 1 hour, Filter to get solid, Dried to give the product (I) 42 g, The yield was 95.4percentHPLC purity ≥99.3percent.In a 1000 mL reaction flask, 360 mL of toluene was added, 120 g beta-alanine (1.348 mol)111.2 g of acetyl chloride (1.417 mol)Heating up to 50 , Reaction for 5 hours, Sampling ninhydrin does not develop color, Cooling to -3 , Stirring for 1 hour, Filter to get solid, Dried to give 169.0 g of product (I)The yield was 95.7percent and the HPLC purity was ≥99.3percent.In a 500 mL reaction flask, Adding dichloromethane to 360 mL, 60 g of β-alanine (0.674 mol)48.5 g acetic acid (0.808 mol), Heating up to 45 , Reaction for 3 hours, Sampling ninhydrin does not develop color, Cooling to 4 , Stirring for 1 hour, Filter to get solid, Dried to give 82.5 g of product (I)The yield was 93.4percentHPLC purity ≥99.3percent.Example 19 In a 250 mL reaction flask, Add 180 mL of chloroform, 30 g of β-alanine (0.337 mol)37.8 g of acetic anhydride (0.371 mol), Heating up to 60 , Reaction for 5 hours, Sampling ninhydrin does not develop color, Cooling to 4 , Stirring for 1 hour, Filter to get solid, Dried to give the product (I) 42 g, The yield was 95.4percentHPLC purity ≥99.3percent.In a 1000 mL reaction flask, 360 mL of toluene was added, 120 g beta-alanine (1.348 mol)111.2 g of acetyl chloride (1.417 mol)Heating up to 50 , Reaction for 5 hours, Sampling ninhydrin does not develop color, Cooling to -3 , Stirring for 1 hour, Filter to get solid, Dried to give 169.0 g of product (I)The yield was 95.7percent and the HPLC purity was ≥99.3percent.In a 500 mL reaction flask, Adding dichloromethane to 360 mL, 60 g of β-alanine (0.674 mol)48.5 g acetic acid (0.808 mol), Heating up to 45 , Reaction for 3 hours, Sampling ninhydrin does not develop color, Cooling to 4 , Stirring for 1 hour, Filter to get solid, Dried to give 82.5 g of product (I)The yield was 93.4percentHPLC purity ≥99.3percent.Example 19 L-proline N-octylamide and also the stereoisomers thereof and the organic or mineral salts and solvates thereof, and also the following amino acids and derivatives: AC-ALA-NHME AC-beta-ALA-OH AC-beta-ALA-OME AC-GLY-NHME AC-HIS-NHME AC-ILE-NHME AC-LEU-GLY-OH AC-LEU-NHME AC-LYS-NHME ...In a 250 mL reaction flask, Add 180 mL of chloroform, 30 g of beta-alanine (0.337 mol)37.8 g of acetic anhydride (0.371 mol), Heating up to 60 , Reaction for 5 hours, Sampling ninhydrin does not develop color, Cooling to 4 , Stirring for 1 hour, Filter to get solid, Dried to give the product (I) 42 g, The yield was 95.4%HPLC purity '99.3%.

Abnormal amino acid metbolite formed in patients with isovaleric acidemia (IVA)

Molecular Weight:131.13
XLogP3:-1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:131.058243149
Monoisotopic Mass:131.058243149
Topological Polar Surface Area:66.4
Heavy Atom Count:9
Complexity:121
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes