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
- Molecular Weight:
- 166.13
- MDL Number:
- MFCD01076411
- MOL File:
- 5768-39-8.mol
| 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 |
| UNSPSC Code | 12352106 |
| NACRES | NA.21 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H315-H319 | |||||||||
| Precautionary statements | P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313 | |||||||||
| Hazard Codes | Xn | |||||||||
| Risk Statements | 22 | |||||||||
| WGK Germany | WGK 3 | |||||||||
| Hazard Note | Harmful | |||||||||
| HS Code | 2932990090 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| Hazard Classifications | Acute Tox. 4 Oral | |||||||||
| NFPA 704 |
|
1,3-Benzodioxole-4-carboxylic acid price More Price(43)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Apolloscientific | OR3878 | 1,3-Benzodioxole-4-carboxylic acid 98% | 5768-39-8 | 250mg | $25 | 2026-06-04 | Buy |
| Apolloscientific | OR3878 | 1,3-Benzodioxole-4-carboxylic acid 98% | 5768-39-8 | 1g | $30 | 2026-06-04 | Buy |
| Apolloscientific | OR3878 | 1,3-Benzodioxole-4-carboxylic acid 98% | 5768-39-8 | 5g | $93 | 2026-06-04 | Buy |
| Apolloscientific | OR3878 | 1,3-Benzodioxole-4-carboxylic acid 98% | 5768-39-8 | 25g | $426 | 2026-06-04 | Buy |
| Synthonix | B48235 | Benzo[d][1,3]dioxole-4-carboxylic acid 98% | 5768-39-8 | 100mg | $21 | 2026-05-06 | Buy |
1,3-Benzodioxole-4-carboxylic acid Chemical Properties, Uses, 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
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Preparation Products
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Shijiazhuang Tancheng Biological Technology Co., Ltd | 0311-84309789 13833149888 | tanchengchem@163.com | China | 36 | 58 |
| J & K SCIENTIFIC LTD. | 18210857532 18210857532 | jkinfo@jkchemical.com | China | 94607 | 76 |
| JinYan Chemicals(ShangHai) Co.,Ltd. | 13817811078 | sales@jingyan-chemical.com | China | 9963 | 60 |
| Shanghai Hanhong Scientific Co.,Ltd. | 021-54306202 13764082696 | info@hanhongsci.com | China | 42917 | 64 |
| Syntechem Co.,Ltd | info@syntechem.com | China | 12973 | 57 | |
| Shanghai Sunway Pharmaceutical Technology Co., Ltd | 13761987713 | hxzheng@sunwaypharm.cn | China | 8663 | 57 |
| Chengdu HappySyn Pharmaceutical Technology Co., Ltd. | 85114309 18982182443 | yangli@happysyn.com | China | 2284 | 55 |
| Chengdu Ai Keda Chemical Technology Co., Ltd. | 4008-755-333 18080918076 | 800078821@qq.com | China | 9706 | 55 |
| Chiba Pharmaceutical Science and technology Co, Ltd. | 0531-81313138 13066006660 | chibapharm@foxmail.com | China | 3996 | 55 |
| Shanghai civi chemical technology co.,Ltd | 86-21-34053660 | sale@labgogo.com | China | 9853 | 52 |
View Latest Price from 1,3-Benzodioxole-4-carboxylic acid manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2020-01-10 | 1,3-BENZODIOXOLE-4-CARBOXYLIC ACID
5768-39-8
|
$1.00 | 1g | 99% | 10000KGS | Career Henan Chemical Co |
-
- 1,3-BENZODIOXOLE-4-CARBOXYLIC ACID
5768-39-8
- $1.00
- 99%
- Career Henan Chemical Co
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