1,3-Benzodioxole-4-carboxylic acid

Base Information

• Chemical Name: 1,3-Benzodioxole-4-carboxylic acid
• CAS No.: 5768-39-8
• Molecular Formula: C8H6 O4
• Molecular Weight: 166.133
• Hs Code.: 2932999099
• NSC Number: 201536
• DSSTox Substance ID: DTXSID40308032
• Nikkaji Number: J13.411B
• Wikidata: Q27464685
• Mol file: 5768-39-8.mol

Synonyms:1,3-benzodioxole-4-carboxylic acid;5768-39-8;benzo[d][1,3]dioxole-4-carboxylic acid;2,3-methylenedioxybenzoic acid;2,3-(Methylenedioxy)benzoic acid;benzo[1,3]dioxole-4-carboxylic acid;MFCD01076411;o-Piperonylic acid;2H-1,3-benzodioxole-4-carboxylic acid;Q6T;NSC201536;2-Methylenedioxybenzoic acid;SCHEMBL340702;1-carboxy-methylenedioxybenzene;DTXSID40308032;DBUAYOWCIUQXQW-UHFFFAOYSA-N;1,3-dioxaindane-4-carboxylic acid;STL512549;1,3-benzodioxole-4-carbonsäure;AKOS006222472;2,3-methylenedioxyphenylcarboxylic acid;CS-W022580;NSC-201536;benzo[d][1,3]dioxole-4-carboxylicacid;AM804076;DS-12889;SY003496;FT-0609748;EN300-45463;1,3-benzodioxole-4-carboxylic acid, AldrichCPR;A831554;AE-641/00552029;J-519722;Q27464685;Z553832512;N'-[(E)-(5-bromoindol-3-ylidene)methyl]-2-hydroxy-2-phenyl-acetohydrazide;1,3-Benzodioxole-4-carboxylic Acid

Chemical Property of 1,3-Benzodioxole-4-carboxylic acid

Chemical Property:

• Vapor Pressure: 2.48E-12mmHg at 25°C
• Melting Point: 224 °C
• Boiling Point: 318.3 °C at 760 mmHg
• PKA: 3.97±0.20(Predicted)
• Flash Point: 136.6 °C
• PSA: 55.76000
• Density: 1.468 g/cm³
• LogP: 1.11350
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 166.02660867
• Heavy Atom Count: 12
• Complexity: 192

Purity/Quality:

98% ^*data from raw suppliers

1,3-Benzodioxole-4-carboxylic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1OC2=CC=CC(=C2O1)C(=O)O

Technology Process of 1,3-Benzodioxole-4-carboxylic acid

There total 16 articles about 1,3-Benzodioxole-4-carboxylic 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: 97.0%

benzo[1,3]dioxole-4-carboxylic acid methyl ester (33842-16-9) → benzo[1,3]dioxole-4-carboxylic acid (5768-39-8)

Guidance literature:

With potassium hydroxide; In methanol; water; at 20 ℃; for 3h;

Reference yield: 96.0%

2H-benzo[d]1,3-dioxolane-4-carbaldehyde (7797-83-3) → benzo[1,3]dioxole-4-carboxylic acid (5768-39-8)

Guidance literature:

With dihydrogen peroxide; potassium carbonate; In methanol; water;

Reference yield: 96.0%

→ benzo[1,3]dioxole-4-carboxylic acid (5768-39-8)

Guidance literature:

upstream raw materials:

diiodomethane

2,3-Dihydroxybenzoic acid

2H-benzo[d]1,3-dioxolane-4-carbaldehyde

benzo[d][1,3]dioxol-5-yl(trimethylsilyl)methanone

Downstream raw materials:

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

2,3-(Methylenedioxy)benzoyl chloride

N,N'-di-(1,3-benzodioxol-4-yl)urea

tert-butyl [2,3-(methylenedioxy)phenyl]carbamate