(E)-3,5-dichloro-4-(3-ethoxy-2-methyl-3-oxoprop-1-enyl)benzoic acid

Base Information

• Chemical Name: (E)-3,5-dichloro-4-(3-ethoxy-2-methyl-3-oxoprop-1-enyl)benzoic acid
• CAS No.: 1110767-89-9
• Molecular Formula: C13H12Cl2O4
• Molecular Weight: 303.142
• Mol file: 1110767-89-9.mol

Synonyms:(E)-3,5-dichloro-4-(3-ethoxy-2-methyl-3-oxoprop-1-enyl)benzoic acid;(E)-3,5-dichloro-4-(3-methoxy-2-methyl-3-oxoprop-1-en-1-yl)benzoic acid;3,5-Dichloro-4-[(1E)-3-ethoxy-2-methyl-3-oxo-1-propen-1-yl]benzoic acid

Chemical Property of (E)-3,5-dichloro-4-(3-ethoxy-2-methyl-3-oxoprop-1-enyl)benzoic acid

Chemical Property:

• Boiling Point: 442.1±45.0 °C(Predicted)
• PKA: 3.43±0.10(Predicted)
• PSA: 63.60000
• Density: 1.380±0.06 g/cm3(Predicted)
• LogP: 3.65800
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

99%, ^*data from raw suppliers

(E)?-?3,?5-?Dichloro-?4-?(3-?ethoxy-?2-?methyl-?3-?oxoprop-?1-?en-?1-?yl)?benzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Uses: (E)?-?3,?5-?Dichloro-?4-?(3-?ethoxy-?2-?methyl-?3-?oxoprop-?1-?en-?1-?yl)?benzoic Acid is an intermiediate of Lusutrombopag (L474985), a newly discovered thrombopoietin receptor agonist used in the treatment of patients with chronic ITP.

Technology Process of (E)-3,5-dichloro-4-(3-ethoxy-2-methyl-3-oxoprop-1-enyl)benzoic acid

There total 3 articles about (E)-3,5-dichloro-4-(3-ethoxy-2-methyl-3-oxoprop-1-enyl)benzoic acid 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: 68.0%

3,5-dichloro-4-formylbenzoic acid (153203-80-6) + ethyl 2-diethoxyphosphorylpropionate (3699-66-9) → 3,5-dichloro-4-[(1E)-3-ethoxy-2-methyl-3-oxoprop-1-en-1-yl]benzoic acid (1110767-89-9)

Guidance literature:

3,5-dichloro-4-formylbenzoic acid; With lithium hydroxide monohydrate; In tetrahydrofuran; at 0 ℃; for 1h; Inert atmosphere; Industrial scale;

ethyl 2-diethoxyphosphorylpropionate; In tetrahydrofuran; at 0 - 15 ℃; for 3.5h; Reagent/catalyst; Inert atmosphere; Industrial scale;

DOI:10.1021/acs.oprd.0c00311

Reference yield:

3,5-dichlorobenzoic acid (51-36-5) → 3,5-dichloro-4-[(1E)-3-ethoxy-2-methyl-3-oxoprop-1-en-1-yl]benzoic acid (1110767-89-9)

Guidance literature:

Multi-step reaction with 2 steps

1.1: lithium diisopropyl amide / tetrahydrofuran / -50 °C / Inert atmosphere; Industrial scale

1.2: -50 °C / Inert atmosphere; Industrial scale

2.1: lithium hydroxide monohydrate / tetrahydrofuran / 1 h / 0 °C / Inert atmosphere; Industrial scale

2.2: 3.5 h / 0 - 15 °C / Inert atmosphere; Industrial scale

With lithium hydroxide monohydrate; lithium diisopropyl amide; In tetrahydrofuran; 2.1: |Horner-Wadsworth-Emmons Olefination / 2.2: |Horner-Wadsworth-Emmons Olefination;

DOI:10.1021/acs.oprd.0c00311

Reference yield:

4-morpholinecarboxaldehyde (4394-85-8) + ethyl 2-diethoxyphosphorylpropionate (3699-66-9) + 3,5-dichlorobenzoic acid (51-36-5) → 3,5-dichloro-4-[(1E)-3-ethoxy-2-methyl-3-oxoprop-1-en-1-yl]benzoic acid (1110767-89-9) + 3,5-dichloro-4-[3-ethoxy-2-methyl-3-oxoprop-1-en-1-yl]benzoic acid

Guidance literature:

3,5-dichlorobenzoic acid; With lithium diisopropyl amide; In tert-butyl methyl ether; at 50 ℃; Inert atmosphere; Industrial scale;

4-morpholinecarboxaldehyde; In tert-butyl methyl ether; at -50 ℃; Inert atmosphere; Industrial scale;

ethyl 2-diethoxyphosphorylpropionate; In tert-butyl methyl ether; at 0 ℃; Solvent; Overall yield = 70 percentChromat.; Inert atmosphere; Industrial scale;

DOI:10.1021/acs.oprd.0c00311

upstream raw materials:

3,5-dichloro-4-formylbenzoic acid

ethyl 2-diethoxyphosphorylpropionate

3,5-dichlorobenzoic acid

4-morpholinecarboxaldehyde

Downstream raw materials:

ethyl (S)-(E)-3-(2,6-dichloro-4-{4-[2-methyloxy-3-(1-methyloxyheptyl)phenyl]thiazol-2-ylcarbamoyl}phenyl)-2-methylacrylate

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