Cas no 18679-90-8 (Butanoic acid,4-[[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]amino]-)

Butanoic acid,4-[[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]amino]-, is a chiral carboxylic acid derivative featuring a hydroxy-substituted butylamino moiety. Its stereospecific (R)-configuration at the 2-position ensures high enantiomeric purity, making it valuable for asymmetric synthesis and pharmaceutical intermediates. The compound’s multifunctional structure—incorporating hydroxyl, carbonyl, and carboxyl groups—enhances its reactivity in selective acylation and condensation reactions. The dimethyl substitution at the 3-position provides steric stability, while the diol functionality offers potential for further derivatization. This compound is particularly useful in fine chemical synthesis, where precise control over molecular architecture is critical. Its well-defined stereochemistry and functional group diversity make it a versatile building block for advanced organic and medicinal chemistry applications.
Butanoic acid,4-[[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]amino]- structure
18679-90-8 structure
Product Name:Butanoic acid,4-[[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]amino]-
CAS No:18679-90-8
MF:C10H19NO5
MW:233.261563539505
MDL:MFCD01941640
CID:140939
PubChem ID:28281
Update Time:2025-06-07

Butanoic acid,4-[[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]amino]- Chemical and Physical Properties

Names and Identifiers

    • Butanoic acid,4-[[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]amino]-
    • 4-[(2,4-Dihydroxy-3,3-dimethylbutanoyl)amino]-butanoic acid
    • 4-D-Pantoylamino-buttersaeure
    • 4-D-pantoylamino-butyric acid
    • D-Homopantothenic acid
    • Homopantothenic acid
    • HOPA
    • Hopantenic
    • hopantenic acid
    • Dexpanthenol iMpurity I
    • D-(+)-Homopantothenic acid
    • 4-[[(2R)-2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl]amino]butanoic acid
    • (+)-4-[[(R)-2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl]amino]butyric acid
    • Butyric acid, 4-(2,4-dihydroxy-3,3-dimethylbutyramido)-, D-(+)- (8CI)
    • H473MVB16U
    • 4-(((2R)-2,4-DIHYDROXY-3,3-DIMETHYL-1-OXOBUTYL)AMINO)BUTANOIC ACID
    • DB14044
    • Pantocalcin
    • Hopanteninsaeure
    • Acido hopantenico
    • CHEBI:134949
    • NS00068807
    • Hopantenic acid [INN]
    • 4-[[(2R)-2,4-dihydroxy-3,3-dimethyl-butanoyl]amino]butanoic acid
    • Acidum hopantenicum
    • D-(+)-4-(2,4-Dihydroxy-3,3-dimethylbutyramido)butyric acid
    • SCHEMBL1649293
    • HOPANTENIC ACID [WHO-DD]
    • 18679-90-8
    • CHEMBL2110783
    • Butanoic acid, 4-[[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]amino]-
    • Acidum hopantenicum [INN-Latin]
    • AKOS005267205
    • D08042
    • CS-0254878
    • Acido hopantenico [INN-Spanish]
    • N-pantoyl-GABA
    • 4-[(2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl)amino]butanoic acid
    • HOPan
    • (R)-4-(2,4-Dihydroxy-3,3-dimethylbutanamido)butanoic acid
    • Hopantenic acid (INN)
    • UNII-H473MVB16U
    • Calicum hopantenate
    • 17097-76-6
    • F87812
    • DTXSID6048331
    • Q4143336
    • Acide hopantenique [INN-French]
    • HOPANTENIC ACID [MI]
    • (R)-(+)-4-(2,4-Dihydroxy-3,3-dimethylbutyramido)buttersaeure
    • Pantocalcin (TN)
    • 4-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]butanoic acid
    • BUTYRIC ACID, 4-(2,4-DIHYDROXY-3,3-DIMETHYLBUTYRAMIDO)-, D-(+)-
    • Acide hopantenique
    • pantogab, (R)-isomer
    • SBBDHANTMHIRGW-QMMMGPOBSA-N
    • 4-[(2R)-2,4-dihydroxy-3,3-dimethylbutanamido]butanoic acid
    • SBI-0654639.0001
    • Acidum hopantenicum (INN-Latin)
    • 4-((2R)-2,4-dihydroxy-3,3-dimethylbutanamido)butanoic acid
    • Acido hopantenico (INN-Spanish)
    • Acide hopantenique (INN-French)
    • DTXCID7028306
    • MDL： MFCD01941640
    • Inchi： 1S/C10H19NO5/c1-10(2,6-12)8(15)9(16)11-5-3-4-7(13)14/h8,12,15H,3-6H2,1-2H3,(H,11,16)(H,13,14)/t8-/m0/s1
    • InChI Key： SBBDHANTMHIRGW-QMMMGPOBSA-N
    • SMILES： O[C@@H](C(NCCCC(=O)O)=O)C(C)(C)CO

Computed Properties

  • Exact Mass: 233.12600
  • Monoisotopic Mass: 233.126323
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 8
  • Complexity: 252
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 107
  • XLogP3: -0.7

Experimental Properties

  • Density: 1.23
  • Boiling Point: 556°Cat760mmHg
  • Flash Point: 290.1°C
  • Refractive Index: 1.508
  • PSA: 106.86000
  • LogP: -0.26230
  • pka: 4.52 at 25°
  • Specific Rotation: D20 +23.8°

Butanoic acid,4-[[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]amino]- Security Information

  • HazardClass：IRRITANT
  • Toxicity：LD50 in male, female mice, male, female rats (mg/kg): 850, 954, 1575, 1458 i.p.; 2063, 2495, 5940, 7348 s.c.; 6297, 7935, 16810, 13350 orally (Nishizawa)

Butanoic acid,4-[[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]amino]- Customs Data

  • HS CODE：2924199090
  • Customs Data：

    China Customs Code:

    2924199090

    Overview:

    2924199090. Other acyclic amides(Including acyclic carbamates)(Including its derivatives and salts). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, packing

    Summary:

    2924199090. other acyclic amides (including acyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Butanoic acid,4-[[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]amino]- Pricemore >>

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eNovation Chemicals LLC
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A2B Chem LLC
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