4-(Azaniumylmethyl)-5-(hydroxymethyl)-2-methylpyridin-3-olate

Base Information

• Chemical Name: 4-(Azaniumylmethyl)-5-(hydroxymethyl)-2-methylpyridin-3-olate
• CAS No.: 85-87-0
• Molecular Formula: C8H12 N2 O2
• Molecular Weight: 168.195
• Hs Code.: 2933399090
• Mol file: 85-87-0.mol

Synonyms:

Chemical Property of 4-(Azaniumylmethyl)-5-(hydroxymethyl)-2-methylpyridin-3-olate

Chemical Property:

• Vapor Pressure: 2.92E-09mmHg at 25°C
• Melting Point: 193-193.5 °C
• Boiling Point: 460.1°C at 760 mmHg
• PKA: 9.98±0.10(Predicted)
• Flash Point: 232.1°C
• PSA: 79.37000
• Density: 1.282g/cm³
• LogP: 0.74690
• Storage Temp.: Hygroscopic, Refrigerator, under inert atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 168.089877630
• Heavy Atom Count: 12
• Complexity: 143

Purity/Quality:

99%, ^*data from raw suppliers

4-(Aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC=C(C(=C1[O-])C[NH3+])CO

Technology Process of 4-(Azaniumylmethyl)-5-(hydroxymethyl)-2-methylpyridin-3-olate

There total 33 articles about 4-(Azaniumylmethyl)-5-(hydroxymethyl)-2-methylpyridin-3-olate 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: 100.0%

pyridoxamine dihydrochloride (524-36-7) → pyridoxamine (85-87-0)

Guidance literature:

With sodium hydroxide; In water; pH=9;

Reference yield:

D-Fructose (57-48-7,18875-34-8) + L-leucine (61-90-5,21675-61-6,25248-98-0,70-45-1) → pyridoxamine-5'-phosphate (529-96-4) + pyridoxal 5'-phosphate (54-47-7) + pyridoxal (66-72-8) + pyridoxamine (85-87-0)

Guidance literature:

With air; ATCC 38399 h^- leu1-32; In various solvent(s); at 30 ℃; for 36h; pH=4.5; Further Variations:; Reagents; reaction times; Product distribution; Microbiological reaction;

DOI:10.1271/bbb.65.1789

Reference yield:

D-Glucose (2280-44-6) + L-leucine (61-90-5,21675-61-6,25248-98-0,70-45-1) → pyridoxamine-5'-phosphate (529-96-4) + pyridoxal 5'-phosphate (54-47-7) + pyridoxal (66-72-8) + pyridoxamine (85-87-0)

Guidance literature:

With air; ATCC 38399 h^- leu1-32; In various solvent(s); at 30 ℃; for 36h; pH=4.5; Further Variations:; Reagents; reaction times; Product distribution; Microbiological reaction;

DOI:10.1271/bbb.65.1789

upstream raw materials:

2-Methyl-3-hydroxy-4-formyl-5-hydroxymethylpyridine oxime

pyridoxine triacetate

Glutamic acid

pyridoxal

Downstream raw materials:

LEUCINE

D,L-valine

2-Oxobutyric acid

2-[(E)-3-Hydroxy-5-hydroxymethyl-2-methyl-pyridin-4-ylmethylimino]-3-methyl-succinic acid

Refernces

• 1、 Ito,Kuroyanagi,Suzuki. "Synthetic studies on pyridoxine derivatives. I. Synthesis of 5 substituted 3 (2 methyl 3 hydroxy 5 hydroxymethyl 4 pyridyl)methyl 4 methylthiazoline 2 thiones (Japanese)". . p. 944 - 948. Retrieved 1975.
• 2、 Pishchugin,Tuleberdiev. "Interaction between Pyridoxal Hydrochloride and L-α-Asparagine in Comparison to L-α- and D-α-Aspartic Acids". . p. 49 - 54. Retrieved 2021/02/26.
• 3、 -. "Glycation Cross-link Breakers to Increase Resistance to Enzymatic Degradation". . . Retrieved 2013/12/03.