L-Pantothenic acid

Base Information

• Chemical Name: L-Pantothenic acid
• CAS No.: 37138-77-5
• Molecular Formula: C₉H₁₇NO₅
• Molecular Weight: 219.238
• UNII: D9B629W4Q4
• Nikkaji Number: J94.162J
• ChEMBL ID: CHEMBL1741144
• Mol file: 37138-77-5.mol

Synonyms:L-PANTOTHENIC ACID;S-Pantothenic acid;(-)-Pantothenic acid;S-Pantothenic acid [WHO-DD];D9B629W4Q4;UNII-D9B629W4Q4;37138-77-5;beta-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, (S)-;beta-Alanine, N-((2S)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-;beta-Alanine, N-[(2S)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]-;Prestwick0_000472;Prestwick1_000472;Prestwick2_000472;SCHEMBL21547;SPBio_002543;CHEMBL1741144;Rotenone;(R)-3-(2,4-Dihydroxy-3,3-dimethylbutanamido)propanoic acid;GHOKWGTUZJEAQD-SSDOTTSWSA-N

Chemical Property of L-Pantothenic acid

Chemical Property:

• XLogP3: -1.1
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 219.11067264
• Heavy Atom Count: 15
• Complexity: 239

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(CO)C(C(=O)NCCC(=O)O)O
• Isomeric SMILES: CC(C)(CO)[C@@H](C(=O)NCCC(=O)O)O

Technology Process of L-Pantothenic acid

There total 26 articles about L-Pantothenic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 88.0%

3-[(S)-2-(benzyloxy)-4-hydroxy-3,3-dimethylbutylamino]propanoic acid → 3-[(S)-2,4-dihydroxy-3,3-dimethylbutanoylamino]propanoic acid (79-83-4,599-54-2,37138-77-5,68094-92-8)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol;

DOI:10.1055/s-0031-1290489

Reference yield:

calcium-N-(2,4-dihydroxy-3,3-dimethylbutyryl)-β-alaninate (137-08-6,867-80-1,6381-62-0,6381-63-1,15773-29-2,64789-49-7,122484-60-0,131346-21-9) → 3-[N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)amino]propionic acid (79-83-4,599-54-2,37138-77-5,68094-92-8)

Guidance literature:

With sulfuric acid; In water;

Reference yield:

sodium β-alaninate (16690-93-0) + pantolactone (79-50-5) → 3-[N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)amino]propionic acid (79-83-4,599-54-2,37138-77-5,68094-92-8)

Guidance literature:

at 95 - 100 ℃;

DOI:10.1021/ja01867a067 DOI:10.1021/ja01864a039

upstream raw materials:

sodium β-alaninate

pantolactone

3-amino propanoic acid

calcium beta-alaninate