2-(Benzo[d][1,3]dioxol-5-yl)-2-(4-(methoxycarbonyl)-2-propylphenoxy)acetic acid

Base Information

• Chemical Name: 2-(Benzo[d][1,3]dioxol-5-yl)-2-(4-(methoxycarbonyl)-2-propylphenoxy)acetic acid
• CAS No.: 159590-92-8
• Molecular Formula: C20H20 O7
• Molecular Weight: 372.37
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID50572242
• Mol file: 159590-92-8.mol

Synonyms:159590-92-8;2-(Benzo[d][1,3]dioxol-5-yl)-2-(4-(methoxycarbonyl)-2-propylphenoxy)acetic acid;2-(1,3-benzodioxol-5-yl)-2-(4-methoxycarbonyl-2-propylphenoxy)acetic acid;QZRDPZWCGFEMLJ-UHFFFAOYSA-N;Methyl 4-(benzo[1,3]dioxol-5-yl-carboxymethoxy)-3-propylbenzoate;SCHEMBL7339368;DTXSID50572242;AKOS015911538;(2H-1,3-Benzodioxol-5-yl)[4-(methoxycarbonyl)-2-propylphenoxy]acetic acid;2-(Benzo[d][1,3]dioxol-5-yl)-2-(4-(methoxycarbonyl)-2-propylphenoxy)aceticacid;alpha-(4-carbomethoxy-2-n-propylphenoxy)-3,4-methylenedioxyphenylacetic acid

Chemical Property of 2-(Benzo[d][1,3]dioxol-5-yl)-2-(4-(methoxycarbonyl)-2-propylphenoxy)acetic acid

Chemical Property:

• PSA: 91.29000
• LogP: 3.35910
• Storage Temp.: 2-8°C
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 372.12090297
• Heavy Atom Count: 27
• Complexity: 523

Purity/Quality:

98%min ^*data from raw suppliers

Methyl 4-(benzo[1,3]dioxol-5-yl-carboxymethoxy)-3-propylbenzoate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1=C(C=CC(=C1)C(=O)OC)OC(C2=CC3=C(C=C2)OCO3)C(=O)O

Technology Process of 2-(Benzo[d][1,3]dioxol-5-yl)-2-(4-(methoxycarbonyl)-2-propylphenoxy)acetic acid

There total 8 articles about 2-(Benzo[d][1,3]dioxol-5-yl)-2-(4-(methoxycarbonyl)-2-propylphenoxy)acetic 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: 96.4%

→ α-(4-carbomethoxy-2-n-propylphenoxy)-3,4-methylenedioxyphenylacetic acid (159590-92-8)

Guidance literature:

Reference yield:

ethyl α-(4-carbomethoxy-2-n-propylphenoxy)-3,4-methylenedioxyphenylacetate (159591-45-4) → α-(4-carbomethoxy-2-n-propylphenoxy)-3,4-methylenedioxyphenylacetic acid (159590-92-8)

Guidance literature:

With methanol; water; sodium hydroxide; at 20 ℃; for 0.5h;

Reference yield:

piperonal (120-57-0,30024-74-9) → α-(4-carbomethoxy-2-n-propylphenoxy)-3,4-methylenedioxyphenylacetic acid (159590-92-8)

Guidance literature:

Multi-step reaction with 5 steps

1.1: potassium cyanide; 18-crown-6 ether / dichloromethane / 3 h / 20 °C

2.1: hydrogenchloride / 1 h / 0 °C

3.1: phosphorus tribromide / diethyl ether / 3 h / 0 - 5 °C

4.1: caesium carbonate / N,N-dimethyl-formamide / 2.5 h / 20 °C

4.2: 1.33 h / 20 °C

5.1: methanol; sodium hydroxide; water / 0.5 h / 20 °C

With hydrogenchloride; methanol; potassium cyanide; 18-crown-6 ether; water; phosphorus tribromide; caesium carbonate; sodium hydroxide; In diethyl ether; dichloromethane; N,N-dimethyl-formamide;

upstream raw materials:

piperonal

2-(3,4-methylenedioxyphenyl)-2-(trimethylsilyloxy)acetonitrile

benzo[1,3]dioxol-5-ylhydroxyacetic acid ethyl ester

benzo[1,3]dioxol-5-ylbromoacetic acid ethyl ester