(S)-2-Methyl-2-allylacetoacetic acid ethyl ester

Base Information

• Chemical Name: (S)-2-Methyl-2-allylacetoacetic acid ethyl ester
• CAS No.: 73553-36-3
• Molecular Formula: C10H16O3
• DSSTox Substance ID: DTXSID20449199
• Nikkaji Number: J378.803B
• Wikidata: Q82268591

Synonyms:CTK2H1156;73553-36-3;(S)-2-Methyl-2-allylacetoacetic acid ethyl ester;DTXSID20449199

Chemical Property of (S)-2-Methyl-2-allylacetoacetic acid ethyl ester

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 184.109944368
• Heavy Atom Count: 13
• Complexity: 220

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(C)(CC=C)C(=O)C
• Isomeric SMILES: CCOC(=O)[C@@](C)(CC=C)C(=O)C

Technology Process of (S)-2-Methyl-2-allylacetoacetic acid ethyl ester

There total 1 articles about (S)-2-Methyl-2-allylacetoacetic acid ethyl ester 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:

C15H24O7 (1133153-35-1) → Ethyl (S)-(-)-2-allyl-2-methylacetatoacetate (73553-36-3) + methyl 6-deoxy-α-D-glucopyranoside (5155-43-1)

Guidance literature:

With sodium ethanolate; In ethanol; at 20 ℃;

DOI:10.1016/j.tetlet.2008.12.091

Reference yield:

Ethyl (S)-(-)-2-allyl-2-methylacetatoacetate (73553-36-3) → (S)-3,3,3-Trifluoro-2-methoxy-2-phenyl-propionic acid (E)-(R)-2-acetyl-2-methyl-5-((S)-3,3,3-trifluoro-2-methoxy-2-phenyl-propionyloxy)-pent-3-enyl ester

Guidance literature:

Multi-step reaction with 6 steps

1.1: 92 percent / lithium aluminum hydride / diethyl ether / 3.5 h / 0 °C

2.1: 94 percent / pyridine / 2 h / 40 °C

3.1: acetic acid / 4 h / 140 °C

3.2: 49.2 percent / NaBH₄; O₂ / dimethylformamide / 1 h / 20 °C

4.1: 98 percent / KOH / methanol / 2 h / 20 °C

5.1: pyridine / CH₂Cl₂ / 1.5 h / 20 °C

6.1: pyridinium chlorochromate / CH₂Cl₂ / 8 h / 20 °C

With pyridine; potassium hydroxide; lithium aluminium tetrahydride; pyridinium chlorochromate; In methanol; diethyl ether; dichloromethane; acetic acid;

DOI:10.3987/COM-99-8813

Reference yield:

Ethyl (S)-(-)-2-allyl-2-methylacetatoacetate (73553-36-3) → (R)-3,3,3-Trifluoro-2-methoxy-2-phenyl-propionic acid (E)-(R)-2-(1-hydroxy-ethyl)-2-methyl-5-((R)-3,3,3-trifluoro-2-methoxy-2-phenyl-propionyloxy)-pent-3-enyl ester

Guidance literature:

Multi-step reaction with 5 steps

1.1: 92 percent / lithium aluminum hydride / diethyl ether / 3.5 h / 0 °C

2.1: 94 percent / pyridine / 2 h / 40 °C

3.1: acetic acid / 4 h / 140 °C

3.2: 49.2 percent / NaBH₄; O₂ / dimethylformamide / 1 h / 20 °C

4.1: 98 percent / KOH / methanol / 2 h / 20 °C

5.1: pyridine / CH₂Cl₂ / 1.5 h / 20 °C

With pyridine; potassium hydroxide; lithium aluminium tetrahydride; In methanol; diethyl ether; dichloromethane; acetic acid;

DOI:10.3987/COM-99-8813

upstream raw materials:

C₁₅H₂₄O₇

Downstream raw materials:

C₈H₁₂N₂O

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