DL-Valinol - ≥98%(GC) , CAS No.16369-05-4

CAS: 16369-05-4 Cat. No.: S160983 Fórmula: C₅H₁₃NO Peso molecular: 103.17 Beilstein Registry Number: 4(4)1777 Número CE: 240-425-0 PubChem CID: 79019

GRADE & PURITY ≥98%(GC)

Synonyms

2,4-Dimethoxybenzenemethanol | AM20080457 | SY006320 | 1-Butanol, 2-amino-3-methyl- | 2-methoxy-benzoic acid ethyl ester | UNII-F4FX82ATU2 | Valinol | 1-BUTANOL, 2-AMINO-3-METHYL-, (+/-)- | 1-Butanol, 2-amino-3-methyl-, (.+/-.)- | 2-amino-3-methylbutanol

Storage

Room temperature,Argon charged

Shipped In

Normal

Visão geral

Product Application：
2-Amino-3-methyl-1-butanol was used in the synthesis of 1-allyl-2-pyrroleimines. It was also used as chiral nucleophile in the total synthesis of benanomicin-pradimicin antibiotics. It was used as homochiral guest compound during synthesis of crown ethers containing two chiral subunits.

Specifications

Sinónimos

2,4-Dimethoxybenzenemethanol | AM20080457 | SY006320 | 1-Butanol, 2-amino-3-methyl- | 2-methoxy-benzoic acid ethyl ester | UNII-F4FX82ATU2 | Valinol | 1-BUTANOL, 2-AMINO-3-METHYL-, (+/-)- | 1-Butanol, 2-amino-3-methyl-, (.+/-.)- | 2-amino-3-methylbutanol

Especificações e pureza

≥98%(GC)

Condições de armazenamento de armazenamento

Room temperature,Argon charged

Enviado em

Normal

Pureza

≥98%(GC)

Nomes e identificadores

• Pubchem Sid: 488185660
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185660
• Sorrisos canónicos: CC(C)C(CO)N
• IUPAC Name: 2-amino-3-methylbutan-1-ol
• InChIKey: NWYYWIJOWOLJNR-UHFFFAOYSA-N
• INCHI: 1S/C5H13NO/c1-4(2)5(6)3-7/h4-5,7H,3,6H2,1-2H3
• SMILES isoméricas: CC(C)C(CO)N
• WGK Alemanha: 3
• PubChem CID: 79019
• Peso molecular: 103.17
• Beilstein: 4(4)1777
• Reaxy-Rn: 1209242

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Classe Organonitrogen compounds
      • Subclass Amines
        • Level5 Alkanolamines
          • Level6 1,2-aminoalcohols

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Alkanolamines
• Direct Parent: 1,2-aminoalcohols
• Alternative Parents: Primary alcohols Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: 1,2-aminoalcohol - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Primary alcohol - Organooxygen compound - Primary aliphatic amine - Alcohol - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as 1,2-aminoalcohols. These are organic compounds containing an alkyl chain with an amine group bound to the C1 atom and an alcohol group bound to the C2 atom.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propriedades químicas e físicas

• Solubilidade: Soluble in water; Soluble in Ether,Ethanol
• Índice de refração: 1.45
• Ponto de inflamação (°F): 194 °F
• Ponto de inflamação (°C): 90 °C
• Ponto de ebulição (°C): 87 °C/11 mmHg
• Peso molecular: 103.160 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 103.1 Da
• Monoisotopic Mass: 103.1 Da
• Topological Polar Surface Area: 46.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 45.300
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referências

1. Chang Ya-Wen, Zhang Jian-Dong, Yang Xiao-Xiao, Li Jing, Gao Li-Li, Huang Shuang-Ping, Guo Xing-Mei, Zhang Cao-Feng, Chang Hong-Hong, Xu Jian-He.  (2020)  High throughput solid-phase screening of bacteria with cyclic amino alcohol deamination activity for enantioselective synthesis of chiral cyclic β-amino alcohols.  BIOTECHNOLOGY LETTERS,  42  (8): (1501-1511).  [PMID:32219689] [10.1007/s10529-020-02869-2]