Retronecic acid lactone

Base Information

• Chemical Name: Retronecic acid lactone
• CAS No.: 34081-95-3
• Molecular Formula: C₁₀H₁₄O₅
• Molecular Weight: 214.218
• Nikkaji Number: J54.293H
• Wikidata: Q76387300
• Mol file: 34081-95-3.mol

Synonyms:Retronecic acid lactone;Retronecic lactone;BRN 0015065;34081-95-3;2H-Pyran-2-carboxylic acid, 5-ethylidenetetrahydro-2-(hydroxymethyl)-3-methyl-6-oxo-, (E)-(2S,3R)-;4-18-00-06282 (Beilstein Handbook Reference);LS-127287;2H-Pyran-2-carboxylic acid, 5-ethylidenetetrahydro-2-(hydroxymethyl)-3-methyl-6-oxo-, [2S-(2.alpha.,3.beta.,5E)]-

Chemical Property of Retronecic acid lactone

Chemical Property:

• Vapor Pressure: 3.36E-10mmHg at 25°C
• Boiling Point: 455.2°C at 760 mmHg
• Flash Point: 182.9°C
• PSA: 83.83000
• Density: 1.335g/cm³
• LogP: 0.33140
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 214.08412354
• Heavy Atom Count: 15
• Complexity: 320

Purity/Quality:

RETRONECIC LACTONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=C1CC(C(OC1=O)(CO)C(=O)O)C
• Isomeric SMILES: C/C=C/1\C[C@H]([C@](OC1=O)(CO)C(=O)O)C

Technology Process of Retronecic acid lactone

There total 4 articles about Retronecic acid lactone 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:

→ (2S)-5-((E)-ethylidene)-2-hydroxymethyl-3t-methyl-6-oxo-tetrahydro-pyran-2r-carboxylic acid (34081-95-3)

Guidance literature:

With hydrogenchloride;

Reference yield:

→ (2S)-5-((E)-ethylidene)-2-hydroxymethyl-3t-methyl-6-oxo-tetrahydro-pyran-2r-carboxylic acid (34081-95-3)

Guidance literature:

With barium dihydroxide; water; Erwaermen des erhaltenen Barium-Salzes mit wss. Schwefelsaeure;

Reference yield:

isatinecic acid (34081-90-8) → (2S)-5-((E)-ethylidene)-2-hydroxymethyl-3t-methyl-6-oxo-tetrahydro-pyran-2r-carboxylic acid (34081-95-3)

Guidance literature:

With potassium hydroxide; Erwaermen des erhaltenen Kalium-Salzes mit wss. Mineralsaeure;

upstream raw materials:

isatinecic acid

retrorsine

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