[5-(Benzo[1,3]dioxol-5-ylmethoxy)-2-cyano-phenoxy]-o-tolyl-acetic acid

Base Information

Chemical Name:[5-(Benzo[1,3]dioxol-5-ylmethoxy)-2-cyano-phenoxy]-o-tolyl-acetic acid
CAS No.:181039-23-6
Molecular Formula:C₂₄H₁₉NO₆
Molecular Weight:417.418
Hs Code.:
DSSTox Substance ID:DTXSID901140052
ChEMBL ID:CHEMBL173792

Synonyms:CHEMBL173792;SCHEMBL8117951;DTXSID901140052;BDBM50085830;L019466;[5-(Benzo[1,3]dioxol-5-ylmethoxy)-2-cyano-phenoxy]-o-tolyl-acetic acid;alpha-[5-(1,3-Benzodioxol-5-ylmethoxy)-2-cyanophenoxy]-2-methylbenzeneacetic acid;181039-23-6

Suppliers and Price of [5-(Benzo[1,3]dioxol-5-ylmethoxy)-2-cyano-phenoxy]-o-tolyl-acetic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of [5-(Benzo[1,3]dioxol-5-ylmethoxy)-2-cyano-phenoxy]-o-tolyl-acetic acid

Chemical Property:

XLogP3:4.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:417.12123733
Heavy Atom Count:31
Complexity:662

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=CC=CC=C1C(C(=O)O)OC2=C(C=CC(=C2)OCC3=CC4=C(C=C3)OCO4)C#N

Technology Process of [5-(Benzo[1,3]dioxol-5-ylmethoxy)-2-cyano-phenoxy]-o-tolyl-acetic acid

There total 5 articles about [5-(Benzo[1,3]dioxol-5-ylmethoxy)-2-cyano-phenoxy]-o-tolyl-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:

: 85589-35-1
o-methylmandelic acid

: 181040-29-9
4-(1,3-Benzodioxol-5-ylmethoxy)-2-fluorobenzonitrile

: 181039-23-6
(RS)-[5-(1,3-benzodioxol-5-ylmethoxy)-2-cyanophenoxy]-(2-methylphenyl)acetic acid

Guidance literature:: o-methylmandelic acid; With sodium hydride; In dimethyl sulfoxide; at 20 ℃; for 0.0833333h;

4-(1,3-Benzodioxol-5-ylmethoxy)-2-fluorobenzonitrile; In dimethyl sulfoxide; at 20 ℃; for 3h; Further stages.;
DOI:10.1021/jm990378b

Reference yield:

: 20850-43-5
5-(chloromethyl)-1,3-benzodioxole

: 181039-23-6
(RS)-[5-(1,3-benzodioxol-5-ylmethoxy)-2-cyanophenoxy]-(2-methylphenyl)acetic acid

Guidance literature:: Multi-step reaction with 2 steps

1.1: K₂CO₃ / dimethylformamide / 20 °C

2.1: NaH / dimethylsulfoxide / 0.08 h / 20 °C

2.2: dimethylsulfoxide / 3 h / 20 °C

With sodium hydride; potassium carbonate; In dimethyl sulfoxide; N,N-dimethyl-formamide; 1.1: Alkylation / 2.1: Metallation / 2.2: Substitution;
DOI:10.1021/jm990378b

Reference yield:

: 82380-18-5
2-fluoro-4-hydroxybenzonitrile

: 181039-23-6
(RS)-[5-(1,3-benzodioxol-5-ylmethoxy)-2-cyanophenoxy]-(2-methylphenyl)acetic acid

Guidance literature:: Multi-step reaction with 2 steps

1.1: K₂CO₃ / dimethylformamide / 20 °C

2.1: NaH / dimethylsulfoxide / 0.08 h / 20 °C

2.2: dimethylsulfoxide / 3 h / 20 °C

With sodium hydride; potassium carbonate; In dimethyl sulfoxide; N,N-dimethyl-formamide; 1.1: Alkylation / 2.1: Metallation / 2.2: Substitution;
DOI:10.1021/jm990378b