7-[2-(Phenylsulfonyl)-2-propenyloxy]-1,3-benzodioxole-5-carboxylic acid methyl ester

Base Information

Chemical Name:7-[2-(Phenylsulfonyl)-2-propenyloxy]-1,3-benzodioxole-5-carboxylic acid methyl ester
CAS No.:219500-47-7
Molecular Formula:C₁₈H₁₆O₇S
Molecular Weight:376.387
Hs Code.:
DSSTox Substance ID:DTXSID701135679
Nikkaji Number:J1.380.323D

Synonyms:DTXSID701135679;7-[2-(Phenylsulfonyl)-2-propenyloxy]-1,3-benzodioxole-5-carboxylic acid methyl ester;Methyl 7-[[2-(phenylsulfonyl)-2-propen-1-yl]oxy]-1,3-benzodioxole-5-carboxylate;219500-47-7

Suppliers and Price of 7-[2-(Phenylsulfonyl)-2-propenyloxy]-1,3-benzodioxole-5-carboxylic acid methyl ester

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

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Chemical Property of 7-[2-(Phenylsulfonyl)-2-propenyloxy]-1,3-benzodioxole-5-carboxylic acid methyl ester

Chemical Property:

XLogP3:2.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:376.06167402
Heavy Atom Count:26
Complexity:618

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC(=O)C1=CC2=C(C(=C1)OCC(=C)S(=O)(=O)C3=CC=CC=C3)OCO2

Technology Process of 7-[2-(Phenylsulfonyl)-2-propenyloxy]-1,3-benzodioxole-5-carboxylic acid methyl ester

There total 1 articles about 7-[2-(Phenylsulfonyl)-2-propenyloxy]-1,3-benzodioxole-5-carboxylic acid methyl 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: 87.0%

: 116119-01-8
methyl 7-hydroxybenzo[d][1,3]dioxole-5-carboxylate

: 1,3-dibromo-2-phenylsulfonylpropane

: 219500-47-7
7-(2-Benzenesulfonyl-allyloxy)-benzo[1,3]dioxole-5-carboxylic acid methyl ester

Guidance literature:: With potassium carbonate; potassium iodide; In acetone; at 20 ℃; for 12h;
DOI:10.1021/ja000521m

Reference yield: 94.0%

: 219500-47-7
7-(2-Benzenesulfonyl-allyloxy)-benzo[1,3]dioxole-5-carboxylic acid methyl ester

: 219500-48-8
6-(2-Benzenesulfonyl-allyl)-7-hydroxy-benzo[1,3]dioxole-5-carboxylic acid methyl ester

Guidance literature:: at 165 ℃; for 12h;
DOI:10.1021/ja982582e

Reference yield:

: 219500-47-7
7-(2-Benzenesulfonyl-allyloxy)-benzo[1,3]dioxole-5-carboxylic acid methyl ester

: 5-Allyl-6-(tert-butyl-diphenyl-silanyloxy)-3a-(3-methyl-but-2-enyl)-3aH-benzo[1,3]dioxol-4-one

Guidance literature:: Multi-step reaction with 9 steps

1: toluene / 12 h / 165 °C

2: K₂CO₃ / acetone / Heating

3: 86 percent / Na-Hg / methanol; ethyl acetate / 12 h / -20 °C

4: 90 percent / LiBr / tetrahydrofuran / 12 h / -78 - 0 °C

5: DBU; CuCl₂*H₂O / acetonitrile / 24 h / 20 °C

6: 85 percent / H₂SO₄; aq. H₂O₂ / CH₂Cl₂ / 0.17 h / 0 °C

7: 97 percent / imidazole; dimethylaminopyridine / CH₂Cl₂ / 12 h / 20 °C

8: 99 percent / H₂; quinoline / 10percent Pd-CaCO₃ / ethyl acetate / 2 h

9: 100 percent / toluene / 2 h / 100 °C

With 1H-imidazole; quinoline; dmap; sodium amalgam; sulfuric acid; hydrogen; dihydrogen peroxide; potassium carbonate; 1,8-diazabicyclo[5.4.0]undec-7-ene; lithium bromide; 10percent Pd-CaCO₃; In tetrahydrofuran; methanol; dichloromethane; ethyl acetate; acetone; toluene; acetonitrile; 1: Claisen rearrangement / 2: Addition / 3: Elimination / 4: Methylation / 5: Addition / 6: Oxidation; Rearrangement / 7: Silylation / 8: Catalytic hydrogenation / 9: Rearrangement;
DOI:10.1021/ja000521m