1,3-BENZODIOXOLE-4-CARBOXYLIC ACID
- Product Name
- 1,3-BENZODIOXOLE-4-CARBOXYLIC ACID
- CAS No.
- 5768-39-8
- Chemical Name
- 1,3-BENZODIOXOLE-4-CARBOXYLIC ACID
- Synonyms
- benzo[d][1,3]dioxole-4-carboxylic acid;BUTTPARK 27\02-57;o-Piperonylic acid;RARECHEM AL BE 0228;2,3-Methylene dioxy benzoic acid;1,3-BENZODIOXOLE-4-CARBOXYLIC ACID;Benzo[1,3]dioxole-4-carboxylic acid;2,3-methylenedioxyphenylcarboxylic acid;1,3-Benzodioxole-4-carboxylic acid 97+%;1, 3-methylenedioxane cyclopentene-4-carboxylic acid
- CBNumber
- CB2301482
- Molecular Formula
- C8H6O4
- Formula Weight
- 166.13
- MOL File
- 5768-39-8.mol
1,3-BENZODIOXOLE-4-CARBOXYLIC ACID Property
- Melting point:
- 224 °C
- Boiling point:
- 318.3±31.0 °C(Predicted)
- Density
- 1.468±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- solid
- pka
- 3.97±0.20(Predicted)
- Appearance
- Light yellow to yellow Solid
- InChI
- InChI=1S/C8H6O4/c9-8(10)5-2-1-3-6-7(5)12-4-11-6/h1-3H,4H2,(H,9,10)
- InChIKey
- DBUAYOWCIUQXQW-UHFFFAOYSA-N
- SMILES
- O1C2=CC=CC(C(O)=O)=C2OC1
- CAS DataBase Reference
- 5768-39-8
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H315Causes skin irritation
H319Causes serious eye irritation
- Precautionary statements
-
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P332+P313IF SKIN irritation occurs: Get medical advice/attention.
P337+P313IF eye irritation persists: Get medical advice/attention.
N-Bromosuccinimide Price
- Product number
- B276710
- Product name
- 1,3-Benzodioxole-4-carboxylicacid
- Packaging
- 250mg
- Price
- $60
- Updated
- 2021/12/16
- Product number
- 410942
- Product name
- 1,3-Benzodioxole-4-carboxylic acid
- Packaging
- 100mg
- Price
- $305
- Updated
- 2021/12/16
- Product number
- FB151152
- Product name
- 1,3-Benzodioxole-4-carboxylicacid
- Packaging
- 100mg
- Price
- $54
- Updated
- 2021/12/16
- Product number
- 2H21-1-W7
- Product name
- 1,3-Benzodioxole-4-carboxylicacid
- Purity
- 97.0%
- Packaging
- 250mg
- Price
- $80
- Updated
- 2021/12/16
- Product number
- FB151152
- Product name
- 1,3-Benzodioxole-4-carboxylicacid
- Packaging
- 250mg
- Price
- $107.5
- Updated
- 2021/12/16
1,3-BENZODIOXOLE-4-CARBOXYLIC ACID Chemical Properties,Usage,Production
Synthesis Reference(s)
Tetrahedron Letters, 17, p. 3361, 1976 DOI: 10.1016/S0040-4039(00)93045-4
Synthesis
33842-16-9
5768-39-8
The general procedure for the synthesis of 1,3-benzodioxole-4-carboxylic acid from methyl benzo[d][1,3]meso-dioxole-4-carboxylate was as follows: methyl benzo[d][1,3]meso-dioxole-4-carboxylate (0.4 g, 2.22 mmol) was dissolved in methanol (8.0 mL), and 2.0 M aqueous KOH (2.2 mL) was added and stirred at room temperature. The reaction was stirred for 3 hours at room temperature. After completion of the reaction, the mixture was concentrated to about 3 mL, diluted with water (5 mL), and the pH was adjusted to ~3 with 2.0 M HCl. The precipitate was separated by filtration, washed sequentially with water and ether, and dried in vacuo to give 1,3-benzodioxole-4-carboxylic acid as a beige solid (0.38 g, 97% yield).1H NMR (400 MHz, DMSO-d6): δ = 7.28 (dd, J = 8.0, 1.2 Hz, 1H), 6.97 (dd, J = 8.0, 1.2 Hz, 1H), 6.89 (t, J = 8.0 Hz, 1H), 6.12 (s, 2H); 13C NMR (100 MHz, DMSO-d6): δ = 165.5, 148.9, 148.5, 122.9, 121.6, 113.8, 112.5, 102.1.
References
[1] Patent: WO2016/131098, 2016, A1. Location in patent: Page/Page column 167; 168; 169
[2] Steroids, 2010, vol. 75, # 12, p. 967 - 973
[3] Journal of Agricultural and Food Chemistry, 2011, vol. 59, # 2, p. 635 - 644
[4] European Journal of Medicinal Chemistry, 2017, vol. 140, p. 604 - 614
[5] Journal of Medicinal Chemistry, 2004, vol. 47, # 4, p. 871 - 887
1,3-BENZODIOXOLE-4-CARBOXYLIC ACID Preparation Products And Raw materials
Raw materials
Preparation Products
1,3-BENZODIOXOLE-4-CARBOXYLIC ACID Suppliers
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- The Netherlands
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View Lastest Price from 1,3-BENZODIOXOLE-4-CARBOXYLIC ACID manufacturers
- Product
- 1,3-BENZODIOXOLE-4-CARBOXYLIC ACID 5768-39-8
- Price
- US $1.00/g
- Min. Order
- 1g
- Purity
- 99%
- Supply Ability
- 10000KGS
- Release date
- 2020-01-09