(4-oxo-3-phenyl-4H-1,1-dioxothiochromen-2-yl)methyl dodecanoate

Base Information

• Chemical Name: (4-oxo-3-phenyl-4H-1,1-dioxothiochromen-2-yl)methyl dodecanoate
• CAS No.: 1033736-99-0
• Molecular Formula: C₂₈H₃₄O₅S
• Molecular Weight: 482.641
• Mol file: 1033736-99-0.mol

Synonyms:(4-oxo-3-phenyl-4H-1,1-dioxothiochromen-2-yl)methyl dodecanoate

Chemical Property of (4-oxo-3-phenyl-4H-1,1-dioxothiochromen-2-yl)methyl dodecanoate

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of (4-oxo-3-phenyl-4H-1,1-dioxothiochromen-2-yl)methyl dodecanoate

There total 5 articles about (4-oxo-3-phenyl-4H-1,1-dioxothiochromen-2-yl)methyl dodecanoate 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: 87.0%

n-dodecanoyl chloride (112-16-3) + 2-(hydroxymethyl)-3-phenyl-4H-thiochromen-4-one 1,1-dioxide (1033736-38-7) → (4-oxo-3-phenyl-4H-1,1-dioxothiochromen-2-yl)methyl dodecanoate (1033736-99-0)

Guidance literature:

With pyridine; In dichloromethane; at 0 - 20 ℃; Product distribution / selectivity; Inert atmosphere;

Reference yield:

2-methyl-4H-thiochromen-4-one (771-40-4) → (4-oxo-3-phenyl-4H-1,1-dioxothiochromen-2-yl)methyl dodecanoate (1033736-99-0)

Guidance literature:

Multi-step reaction with 5 steps

1.1: iodine; cerium(IV)diammonium nitrate / acetonitrile / 4 h / 60 °C / Inert atmosphere

2.1: potassium carbonate / bis-triphenylphosphine-palladium(II) chloride / N,N-dimethyl-formamide; water / 4 h / 80 °C / Inert atmosphere

3.1: selenium(IV) oxide / chlorobenzene / 12 h / Reflux; Inert atmosphere

3.2: 2 h / 0 °C / Inert atmosphere

4.1: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 8 h / 20 °C

5.1: pyridine / dichloromethane / 0 - 20 °C / Inert atmosphere

With pyridine; selenium(IV) oxide; cerium(IV)diammonium nitrate; iodine; potassium carbonate; 3-chloro-benzenecarboperoxoic acid; bis-triphenylphosphine-palladium(II) chloride; In dichloromethane; water; N,N-dimethyl-formamide; chlorobenzene; acetonitrile;

Reference yield:

3-iodo-2-methyl-4H-benzothiopyran-4-one (140173-38-2) → (4-oxo-3-phenyl-4H-1,1-dioxothiochromen-2-yl)methyl dodecanoate (1033736-99-0)

Guidance literature:

Multi-step reaction with 4 steps

1.1: potassium carbonate / bis-triphenylphosphine-palladium(II) chloride / N,N-dimethyl-formamide; water / 4 h / 80 °C / Inert atmosphere

2.1: selenium(IV) oxide / chlorobenzene / 12 h / Reflux; Inert atmosphere

2.2: 2 h / 0 °C / Inert atmosphere

3.1: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 8 h / 20 °C

4.1: pyridine / dichloromethane / 0 - 20 °C / Inert atmosphere

With pyridine; selenium(IV) oxide; potassium carbonate; 3-chloro-benzenecarboperoxoic acid; bis-triphenylphosphine-palladium(II) chloride; In dichloromethane; water; N,N-dimethyl-formamide; chlorobenzene;

upstream raw materials:

2-methyl-4H-thiochromen-4-one

n-dodecanoyl chloride

2-(hydroxymethyl)-3-phenyl-4H-thiochromen-4-one 1,1-dioxide

3-iodo-2-methyl-4H-benzothiopyran-4-one

Downstream raw materials:

lauric acid

C₁₆H₁₀O₃S