Cas no 85-87-0 (4-(Aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol)

4-(Aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol structure
85-87-0 structure
Product Name:4-(Aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol
CAS No:85-87-0
MF:C8H12N2O2
MW:168.193081855774
MDL:MFCD00464815
CID:81728
PubChem ID:1052
Update Time:2024-10-26

4-(Aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol Chemical and Physical Properties

Names and Identifiers

    • pyridoxamine
    • 4-(Aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol
    • 2-Methyl-3-hydroxy-4-aminomethyl-5-hydroxymethylpyridine
    • 4-Aminomethyl-5-hydroxy-6-methyl-3-pyridinemethanol
    • Pyridorin
    • PyridoxaMine-d4
    • pyridoxiamine
    • pyridoxylamine
    • 4-(Aminomethyl)-5-hydroxy-6-methyl-3-pyridinemethanol (ACI)
    • Pyridoxamine (8CI)
    • 4-(Aminomethyl)-3-hydroxy-5-(hydroxymethyl)-2-methylpyridine
    • MeSH ID: D011733
    • CCG-38056
    • 4-(aminomethyl)-5-hydroxy-6-methyl-3-Pyridinemethanol
    • EU-0067145
    • DTXSID6046929
    • NSC21278
    • PYRIDOXAMINE [MI]
    • bmse000130
    • SR-01000392002-1
    • CS-0013764
    • DB11673
    • SR-01000392002
    • 3-Pyridinol, 2-methyl-4-aminomethyl-5-hydroxymethyl-
    • CHEMBL593019
    • PXM
    • 4-(Aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol dihydrochloride hydrate
    • EN300-254254
    • CHEBI:16410
    • 2-methylpyridin-3-ol-5-(hydroxymethyl)-2-methylpyridin-3-ol
    • UNII-6466NM3W93
    • nchembio.93-comp3
    • NCGC00096392-01
    • PYRIDOXAMINE [WHO-DD]
    • 48DD06CB-7B30-4F04-8D74-6F84BDBF5AA9
    • A936529
    • HY-B1745
    • NCI21278
    • NCGC00013273
    • SCHEMBL30408
    • MFCD00464815
    • NS00014913
    • Q2541149
    • 3-Pyridinemethanol, 4-(aminomethyl)-5-hydroxy-6-methyl-
    • NCGC00013273-02
    • BB 0260463
    • AKOS000264716
    • BDBM626197
    • 4-(Aminomethyl)-5-(hydroxymethyl)-2-methyl-3-pyridinol #
    • 4-(aminomethyl)-3-hydroxy-2-methyl-5-pyridinemethanol
    • CBDivE_013510
    • EINECS 201-640-5
    • NCIStruc1_000457
    • 6466NM3W93
    • NSC-21278
    • Oprea1_400404
    • 2-methyl-4-aminomethyl-5-hydroxymethyl-3-Pyridinol
    • PXL
    • EN300-6481455
    • 85-87-0
    • NCI60_001792
    • GS-3241
    • C00534
    • LS-187660
    • NCIStruc2_000537
    • F82068
    • LS-187048
    • 4-(Aminomethyl)-5-(hydroxymethyl)-2-methyl-3-pyridinol
    • 2-Methyl-3-hydroxy-4-aminomethyl-5-hydroxymethylpyridene dihydrochloride
    • 4-(Aminomethyl)-5-hydroxy-6-methyl-3-pyridinemethanol hydrochloride
    • pyridoxamine monohydrochloride
    • Pyridoxylamine dihydrochloride
    • 4-(Aminomethyl)-5-hydroxy-6-methyl-3-pyridinemethanol dihydrochloride
    • Pyridoxamine HCl
    • Pyridoxamine dichlorohydrate
    • pyridoxamine hydrochloride
    • pyridoxaminium(1+)
    • PM
    • pyridoxaminium cation
    • DB-231724
    • BRD-K96669468-300-01-1
    • DTXCID4026929
    • STK503617
    • 4-(azaniumylmethyl)-5-(hydroxymethyl)-2-methylpyridin-3-olate
    • ALBB-005914
    • MDL： MFCD00464815
    • Inchi： 1S/C8H12N2O2/c1-5-8(12)7(2-9)6(4-11)3-10-5/h3,11-12H,2,4,9H2,1H3
    • InChI Key： NHZMQXZHNVQTQA-UHFFFAOYSA-N
    • SMILES： OC1C(CN)=C(CO)C=NC=1C

Computed Properties

  • Exact Mass: 168.09000
  • Monoisotopic Mass: 168.09
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 143
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: _1
  • Topological Polar Surface Area: 79.4A^2

Experimental Properties

  • Density: 1.282
  • Boiling Point: 460.1°C at 760 mmHg
  • Flash Point: 232.1°C
  • Refractive Index: 1.617
  • PSA: 79.37000
  • LogP: 0.74690

4-(Aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol Security Information

  • Storage Condition：Please store the product under the recommended conditions in the Certificate of Analysis.

4-(Aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol Customs Data

  • HS CODE：2933399090
  • Customs Data：

    China Customs Code:

    2933399090

    Overview:

    2933399090. Other compounds with non fused pyridine rings in structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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4-(Aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Hydrochloric acid Catalysts: Platinum dioxide Solvents: Ethanol
Reference
Platinum(IV) oxide
King, Anthony O.; et al, e-EROS Encyclopedia of Reagents for Organic Synthesis, 2001, 1, 1-3

Production Method 2

Reaction Conditions
Reference
Synthetic studies of pyridoxine derivatives. I. Synthesis of 5-substituted-3-(2-methyl-3-hydroxy-5-hydroxymethyl-4-pyridyl)methyl-4-methylthiazoline-2-thiones
Ito, Isoo; et al, Yakugaku Zasshi, 1975, 95(8), 944-8

Production Method 3

Reaction Conditions
1.1 Reagents: Zinc Solvents: Acetic acid
Reference
A new pyridoxamine synthesis
Testa, Emilio; et al, Chimia, 1957, 11,

Production Method 4

Reaction Conditions
1.1 Solvents: Water ;  60 min, pH 9.4, 60 °C
1.2 Reagents: Methylamine ;  30 min, 60 °C
Reference
Differential 12C-/13C-Isotope Dansylation Labeling and Fast Liquid Chromatography/Mass Spectrometry for Absolute and Relative Quantification of the Metabolome
Guo, Kevin; et al, Analytical Chemistry (Washington, 2009, 81(10), 3919-3932

Production Method 5

Reaction Conditions
1.1 Reagents: L-Alanine
Reference
Deuterium isotope effects in transamination: L-alanine and pyridoxal
Blake, M. I.; et al, Journal of the American Chemical Society, 1963, 85, 294-7

Production Method 6

Reaction Conditions
1.1 Reagents: Phosphorus pentachloride ;  2 h, 60 °C
1.2 Reagents: Sodium bicarbonate Solvents: Water ;  neutralized
2.1 Solvents: Water ;  60 min, pH 9.4, 60 °C
2.2 Reagents: Methylamine ;  30 min, 60 °C
Reference
Differential 12C-/13C-Isotope Dansylation Labeling and Fast Liquid Chromatography/Mass Spectrometry for Absolute and Relative Quantification of the Metabolome
Guo, Kevin; et al, Analytical Chemistry (Washington, 2009, 81(10), 3919-3932

Production Method 7

Reaction Conditions
1.1 Reagents: Manganese oxide (MnO2) ,  Hydroxylamine
2.1 -
Reference
Synthetic studies of pyridoxine derivatives. I. Synthesis of 5-substituted-3-(2-methyl-3-hydroxy-5-hydroxymethyl-4-pyridyl)methyl-4-methylthiazoline-2-thiones
Ito, Isoo; et al, Yakugaku Zasshi, 1975, 95(8), 944-8

Production Method 8

Reaction Conditions
1.1 Reagents: Sodium bicarbonate Solvents: Water ;  rt; 30 min, cooled; 30 min, 80 °C; 80 °C → rt
1.2 Reagents: Hydrochloric acid Solvents: Water ;  pH 4
2.1 Reagents: Phosphorus pentachloride ;  2 h, 60 °C
2.2 Reagents: Sodium bicarbonate Solvents: Water ;  neutralized
3.1 Solvents: Water ;  60 min, pH 9.4, 60 °C
3.2 Reagents: Methylamine ;  30 min, 60 °C
Reference
Differential 12C-/13C-Isotope Dansylation Labeling and Fast Liquid Chromatography/Mass Spectrometry for Absolute and Relative Quantification of the Metabolome
Guo, Kevin; et al, Analytical Chemistry (Washington, 2009, 81(10), 3919-3932

Production Method 9

Reaction Conditions
1.1 Reagents: Hydrogen ,  Dipyridinium dichromate
Reference
Lipids. IX. Synthesis of some triglycerides of soybean oil
Mitrofanova, T. K.; et al, Zhurnal Obshchei Khimii, 1961, 31, 2984-6

Production Method 10

Reaction Conditions
Reference
Synthetic studies of pyridoxine derivatives. I. Synthesis of 5-substituted-3-(2-methyl-3-hydroxy-5-hydroxymethyl-4-pyridyl)methyl-4-methylthiazoline-2-thiones
Ito, Isoo; et al, Yakugaku Zasshi, 1975, 95(8), 944-8

Production Method 11

Reaction Conditions
1.1 Reagents: Ethylenediaminetetraacetic acid ,  Aminotransferase
Reference
Enzymes by Design: Chemogenetic Assembly of Transamination Active Sites Containing Lysine Residues for Covalent Catalysis
Haering, Dietmar; et al, Bioconjugate Chemistry, 2001, 12(3), 385-390

Production Method 12

Reaction Conditions
Reference
Synthetic studies of pyridoxine derivatives. I. Synthesis of 5-substituted-3-(2-methyl-3-hydroxy-5-hydroxymethyl-4-pyridyl)methyl-4-methylthiazoline-2-thiones
Ito, Isoo; et al, Yakugaku Zasshi, 1975, 95(8), 944-8

Production Method 13

Reaction Conditions
1.1 Reagents: Sodium acetate ,  Hydroxyamine hydrochloride
Reference
Cancer-specific cytotoxicity of Ringer's acetate solution irradiated by cold atmospheric pressure plasma
Miron, Camelia; et al, Free Radical Research, 2023, 57(2), 91-104

Production Method 14

Reaction Conditions
Reference
Aminodiphosphonic acids and diaminodiphosphonic acids - synthesis and transamination behavior
Issleib, K.; et al, Phosphorus and Sulfur and the Related Elements, 1983, 14(2), 171-8

Production Method 15

Reaction Conditions
Reference
Synthetic studies of pyridoxine derivatives. I. Synthesis of 5-substituted-3-(2-methyl-3-hydroxy-5-hydroxymethyl-4-pyridyl)methyl-4-methylthiazoline-2-thiones
Ito, Isoo; et al, Yakugaku Zasshi, 1975, 95(8), 944-8

Production Method 16

Reaction Conditions
1.1 Reagents: Hydrogen bromide Catalysts: (±)-Propylene oxide
2.1 -
Reference
Aminodiphosphonic acids and diaminodiphosphonic acids - synthesis and transamination behavior
Issleib, K.; et al, Phosphorus and Sulfur and the Related Elements, 1983, 14(2), 171-8

Production Method 17

Reaction Conditions
1.1 -
2.1 Reagents: Hydrogen bromide Catalysts: (±)-Propylene oxide
3.1 -
Reference
Aminodiphosphonic acids and diaminodiphosphonic acids - synthesis and transamination behavior
Issleib, K.; et al, Phosphorus and Sulfur and the Related Elements, 1983, 14(2), 171-8

Production Method 18

Reaction Conditions
1.1 Reagents: Sodium hydroxide Solvents: Ethanol ,  Water ;  5 d, pH 6.8, 15 °C
Reference
Kinetics and Mechanism of the Condensation of Pyridoxal with Amino Acids
Pishchugin, F. V.; et al, Russian Journal of General Chemistry, 2005, 75(9), 1465-1468

4-(Aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol Raw materials

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4-(Aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol Suppliers

Amadis Chemical Company Limited
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(CAS:85-87-0)4-(Aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol
Order Number:A936529
Stock Status:in Stock
Quantity:1g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 15:20
Price ($):297.0

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Amadis Chemical Company Limited
(CAS:85-87-0)4-(Aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol
A936529
Purity:99%
Quantity:1g
Price ($):297.0
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