(2S)-2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide

Base Information

• Chemical Name: (2S)-2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide
• CAS No.: 74561-18-5
• Molecular Formula: C9H19 N O4
• Molecular Weight: 205.254
• UNII: U633D4Z7JC
• Nikkaji Number: J52.899D
• Wikidata: Q27463580
• ChEMBL ID: CHEMBL1741351
• Mol file: 74561-18-5.mol

Synonyms:L-Panthenol;Panthenol, (S)-;(2S)-2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide;U633D4Z7JC;UNII-U633D4Z7JC;74561-18-5;Butanamide, 2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethyl-, (2S)-;Butanamide, 2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethyl-, (S)-;Dexpantenol [INN-Spanish];Dexpanthenolum [INN-Latin];Dexpanthenol [USAN:BAN:INN];C9-H19-N-O4;L-Pantothenol;CAS-81-13-0;(?)-Panthenol;SCHEMBL807508;Butanamida, 2,4-dihidroxi-n-(3-hidroxipropil)-3,3-dimetil-, (2r)-;CHEMBL1741351;D(+)alpha,gamma-dihydroxy-N-(3-hydroxypropyl)-beta,beta-dimethylbutyramide;SNPLKNRPJHDVJA-SSDOTTSWSA-N;AKOS024438122;NCGC00016326-01;Q27463580;MV2

Chemical Property of (2S)-2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide

Chemical Property:

• PSA: 89.79000
• LogP: -0.74470
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 205.13140809
• Heavy Atom Count: 14
• Complexity: 182

Purity/Quality:

95%+ or 98%+ ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (2S)-2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide

There total 3 articles about (2S)-2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide 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:

panthenol (50584-68-4,16485-10-2,1113-70-8) → dexpanthenol (74561-18-5,1113-70-8) + pantothenol (81-13-0,1113-70-8)

Guidance literature:

With LUX i-Amylose-1; In ethanol; hexane; at 25 ℃; Temperature; Resolution of racemate;

DOI:10.1002/chir.23152

Reference yield:

propan-1-ol-3-amine (156-87-6) + (S)-pantolactone (79-50-5,599-04-2,5405-40-3,52126-90-6) → dexpanthenol (74561-18-5,1113-70-8)

Guidance literature:

DOI:10.1007/BF01156493

Reference yield:

→ dexpanthenol (74561-18-5,1113-70-8)

Guidance literature:

/BRN= 1724947/;

upstream raw materials:

propan-1-ol-3-amine

(S)-pantolactone

panthenol