Methyl benzo[d][1,3]dioxole-4-carboxylate

Base Information

• Chemical Name: Methyl benzo[d][1,3]dioxole-4-carboxylate
• CAS No.: 33842-16-9
• Molecular Formula: C9H8 O4
• Molecular Weight: 180.16
• Hs Code.: 2932990090
• NSC Number: 146459
• DSSTox Substance ID: DTXSID80301805
• Wikidata: Q72487858
• Mol file: 33842-16-9.mol

Synonyms:33842-16-9;methyl benzo[d][1,3]dioxole-4-carboxylate;methyl 1,3-benzodioxole-4-carboxylate;1,3-Benzodioxole-4-carboxylic acid, methyl ester;MFCD01546796;methyl 2H-1,3-benzodioxole-4-carboxylate;NSC146459;SCHEMBL3534783;DTXSID80301805;AKOS006240683;CS-W002782;DS-2221;NSC 146459;NSC-146459;AM803723;SY003497;methylbenzo[d][1,3]dioxole-4-carboxylate;benzo[1,3]dioxole-4-carboxylic acid methyl ester

Chemical Property of Methyl benzo[d][1,3]dioxole-4-carboxylate

Chemical Property:

• Vapor Pressure: 0.00387mmHg at 25°C
• Melting Point: 55-56 °C
• Boiling Point: 280.1°C at 760 mmHg
• Flash Point: 122.2°C
• PSA: 44.76000
• Density: 1.3g/cm³
• LogP: 1.20190
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 180.04225873
• Heavy Atom Count: 13
• Complexity: 204

Purity/Quality:

97% ^*data from raw suppliers

Methyl1,3-benzodioxole-4-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C2C(=CC=C1)OCO2

Technology Process of Methyl benzo[d][1,3]dioxole-4-carboxylate

There total 7 articles about Methyl benzo[d][1,3]dioxole-4-carboxylate 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: 98.0%

methyl-2,3-dihydroxybenzoate (2411-83-8) + diiodomethane (75-11-6) → benzo[1,3]dioxole-4-carboxylic acid methyl ester (33842-16-9)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 110 ℃; Inert atmosphere;

DOI:10.1016/j.ejmech.2017.09.048

Reference yield: 81.2%

methyl-2,3-dihydroxybenzoate (2411-83-8) + 1,1-dibromomethane (74-95-3) → benzo[1,3]dioxole-4-carboxylic acid methyl ester (33842-16-9)

Guidance literature:

With caesium carbonate; In N,N-dimethyl-formamide; at 110 ℃; for 3h;

Reference yield: 77.0%

methyl-2,3-dihydroxybenzoate (2411-83-8) + dichloromethane (75-09-2) → benzo[1,3]dioxole-4-carboxylic acid methyl ester (33842-16-9)

Guidance literature:

methyl-2,3-dihydroxybenzoate; With potassium fluoride; In N,N-dimethyl-formamide; at 20 ℃; for 0.5h; Inert atmosphere;

dichloromethane; In N,N-dimethyl-formamide; at 20 - 120 ℃; Inert atmosphere;

DOI:10.1016/j.steroids.2010.06.004

upstream raw materials:

diazomethane

benzo[1,3]dioxole-4-carboxylic acid

methyl-2,3-dihydroxybenzoate

1,1-dibromomethane

Downstream raw materials:

benzo[1,3]dioxole-4-carboxylic acid

C₂₁H₂₄N₂O₄

4-(bromomethyl)benzo[d][1,3]dioxole

methyl 6-bromobenzo[d][1,3]dioxole-4-carboxylate