IBOTENIC ACID MONOHYDRATE

Base Information

• Chemical Name: IBOTENIC ACID MONOHYDRATE
• CAS No.: 60573-88-8
• Molecular Formula: C₅H₆N₂O₄*H₂O
• Molecular Weight: 176.129
• Hs Code.: 2934999090
• Mol file: 60573-88-8.mol

Synonyms:5-Isoxazoleaceticacid, a-amino-2,3-dihydro-3-oxo-,monohydrate (9CI)

Chemical Property of IBOTENIC ACID MONOHYDRATE

Chemical Property:

• Melting Point: 148-151 °C
• PSA: 118.55000
• Density: 1.621g/cm3
• LogP: -0.31170
• Storage Temp.: Freezer (-20°C)
• Solubility.: NH4OH 1 M: 50 mg/mL, clear, colorless to yellow

Purity/Quality:

98%Min ^*data from raw suppliers

Ibotenic acid monohydrate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25
• Safety Statements: 22-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Uses: Ibotenic acid is an excitatory amino acid receptor agonist. Ibotenic acid is a constituent of Amanita muscaria. Ibotenic acid monohydrate is a hydrate of Ibotenic acid and a conformationally restricted analog of glutamic acid.

Technology Process of IBOTENIC ACID MONOHYDRATE

There total 3 articles about IBOTENIC ACID MONOHYDRATE 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:

2-(3-(benzyloxy)-1,2-oxazol-5-yl)acetic acid (115886-04-9) → ibotenic acid (60573-88-8)

Guidance literature:

Multi-step reaction with 3 steps

1: 98 percent / triethylamine / CH₂Cl₂ / 0.08 h / 0 °C

2: 70 percent / 1.) sodium hydride, 2.) butyl nitrite / tetrahydrofuran / 0.08 h / 0 °C

3: 1.) H₂, HCl, 2.) Et₃N / 1.) palladium on carbon / 1.) ethanol, 1.5 h 2.) water, 45 min

With hydrogenchloride; n-Butyl nitrite; hydrogen; sodium hydride; triethylamine; palladium on activated charcoal; In tetrahydrofuran; dichloromethane;

Reference yield:

benzyl 3-benzyloxyisoxazol-5-ylacetate (115886-05-0) → ibotenic acid (60573-88-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 70 percent / 1.) sodium hydride, 2.) butyl nitrite / tetrahydrofuran / 0.08 h / 0 °C

2: 1.) H₂, HCl, 2.) Et₃N / 1.) palladium on carbon / 1.) ethanol, 1.5 h 2.) water, 45 min

With hydrogenchloride; n-Butyl nitrite; hydrogen; sodium hydride; triethylamine; palladium on activated charcoal; In tetrahydrofuran;

Reference yield:

(E,Z)-benzylα-hydroxyimino-3-benzyloxyisoxazol-5-ylacetate (115886-06-1,115886-07-2) → ibotenic acid (60573-88-8)

Guidance literature:

With hydrogenchloride; hydrogen; triethylamine; palladium on activated charcoal; Yield given. Multistep reaction; 1.) ethanol, 1.5 h 2.) water, 45 min;

upstream raw materials:

(E,Z)-benzylα-hydroxyimino-3-benzyloxyisoxazol-5-ylacetate

2-(3-(benzyloxy)-1,2-oxazol-5-yl)acetic acid

benzyl 3-benzyloxyisoxazol-5-ylacetate

Refernces