1,4-Benzodioxane-6-carboxylic acid
- CAS No.
- 4442-54-0
- Chemical Name:
- 1,4-Benzodioxane-6-carboxylic acid
- Synonyms
- 2,3-DIHYDROBENZO[B][1,4]DIOXINE-6-CARBOXYLIC ACID;2,3-DIHYDRO-1,4-BENZODIOXINE-6-CARBOXYLIC ACID;AKOS B013959;AKOS BBS-00005369;BUTTPARK 85\15-10;TIMTEC-BB SBB007047;RARECHEM AL BO 1905;1,4-Benzodioxane-6-;CHEMBRDG-BB 4003145;ART-CHEM-BB B013959
- CBNumber:
- CB6326229
- Molecular Formula:
- C9H8O4
- Molecular Weight:
- 180.16
- MDL Number:
- MFCD00463509
- MOL File:
- 4442-54-0.mol
- MSDS File:
- SDS
- TDS File:
- TDS
| Melting point | 134-138 °C(lit.) |
|---|---|
| Boiling point | 339.8±41.0 °C(Predicted) |
| Density | 1.376±0.06 g/cm3(Predicted) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | Acetone (Slightly), DMSO (Slightly), Methanol (Slightly) |
| pka | 4.37±0.20(Predicted) |
| form | Crystalline Solid |
| color | Pale brown |
| InChI | 1S/C9H8O4/c10-9(11)6-1-2-7-8(5-6)13-4-3-12-7/h1-2,5H,3-4H2,(H,10,11) |
| InChIKey | JWZQJTGQFHIRFQ-UHFFFAOYSA-N |
| SMILES | OC(=O)c1ccc2OCCOc2c1 |
| CAS DataBase Reference | 4442-54-0(CAS DataBase Reference) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H315-H319-H335 | |||||||||
| Precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 | |||||||||
| target organs | Respiratory system | |||||||||
| PPE | dust mask type N95 (US), Eyeshields, Gloves | |||||||||
| Hazard Codes | Xi | |||||||||
| Risk Statements | 36/37/38 | |||||||||
| Safety Statements | 26-36 | |||||||||
| WGK Germany | 3 | |||||||||
| HazardClass | IRRITANT | |||||||||
| HS Code | 2932990090 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
|||||||||
| NFPA 704 |
|
1,4-Benzodioxane-6-carboxylic acid price More Price(73)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | 658375 | 1,4-Benzodioxane-6-carboxylic acid 97% | 4442-54-0 | 25g | $185 | 2026-04-30 | Buy |
| Sigma-Aldrich | 658375 | 1,4-Benzodioxane-6-carboxylic acid 97% | 4442-54-0 | 5g | $190 | 2026-04-30 | Buy |
| TCI Chemical | B3764 | 1,4-Benzodioxane-6-carboxylic Acid >98.0%(GC)(T) | 4442-54-0 | 5g | $80 | 2026-04-30 | Buy |
| TCI Chemical | B3764 | 1,4-Benzodioxane-6-carboxylic Acid >98.0%(GC)(T) | 4442-54-0 | 25g | $230 | 2026-04-30 | Buy |
| TRC | TRC-E917795-5G | 3,4-Ethylenedioxybenzoic Acid | 4442-54-0 | 5g | $72 | 2026-06-03 | Buy |
1,4-Benzodioxane-6-carboxylic acid Chemical Properties, Uses, Production
Chemical Properties
White to Off-White Solid
Uses
1,4-Benzodioxane-6-carboxylic Acid is used in the preparation of new anti-inflammatory compounds containing the 1,4-benzodioxine system.
Uses
3,4-Ethylenedioxybenzoic Acid is used in the preparation of new anti-inflammatory compounds containing the 1,4-benzodioxine system.
Synthesis
29668-44-8
4442-54-0
General procedure for the synthesis of 1,4-benzodioxane-6-carboxylic acid from 1,4-benzodioxane-6-carboxaldehyde: To a 20 mL methanol solution of urea-hydrogen peroxide complex (1:1) (6 g, 63.4 mmol) and aldehydes 3a-f (4.28 mmol) in stirring was added an aqueous NaOH solution (1.6 mL, 6 M solution). The reaction mixture was refluxed and stirred for 1 h at room temperature, followed by the addition of urea-hydrogen peroxide complex (1.5 g, 15.85 mmol) and continued refluxing for 30 min. Upon completion of the reaction, the mixture was cooled to room temperature and the pH was adjusted to 3 with 18% aqueous HCl. The precipitates were collected by filtration, washed with 2 x 50 mL of ice water and dried to give 4a-f (82-94% yield) as an off-white solid. For compound 4e, the reaction mixture was cooled at room temperature and the pH was adjusted to 3 with 18% HCl aqueous solution. methanol was removed by evaporation and the mixture was subsequently diluted with 30 mL of water and extracted with CHCl3. The organic phase was washed with water and the solvent was evaporated and dried.
References
[1] Bioorganic and Medicinal Chemistry, 2006, vol. 14, # 24, p. 8219 - 8248
[2] Bioorganic and Medicinal Chemistry Letters, 2011, vol. 21, # 6, p. 1578 - 1581
[3] Journal of Medicinal Chemistry, 1999, vol. 42, # 11, p. 1951 - 1964
[4] Bioorganic and Medicinal Chemistry, 2004, vol. 12, # 1, p. 71 - 85
[5] Patent: US5530028, 1996, A
1,4-Benzodioxane-6-carboxylic acid Preparation Products And Raw materials
Raw materials
Preparation Products
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Tangyuan Life Science (Shanghai) Co., Ltd | 400-618-1121 17316483629 | sales@townyuan.com | China | 2761 | 58 |
| J & K SCIENTIFIC LTD. | 18210857532 18210857532 | jkinfo@jkchemical.com | China | 96815 | 76 |
| Meryer (Shanghai) Chemical Technology Co., Ltd. | 4006356688 18621169109 | market03@meryer.com | China | 40202 | 62 |
| TCI (Shanghai) Development Co., Ltd. | 021-67121386 | Sales-CN@TCIchemicals.com | China | 24512 | 81 |
| Energy Chemical | 400-0056266 | sales8178@energy-chemical.com | China | 44850 | 61 |
| Wuhan Chemwish Technology Co., Ltd | 86-027-67849912 | sales@chemwish.com | China | 35884 | 56 |
| Capot Chemical Co., Ltd | +86 (0) 571 85 58 67 18 | China | 18187 | 66 | |
| Shanghai Sinch Parmaceuticals Tech. Co. Ltd. | +86-21-54098501 | sales@sinch.com.cn | China | 11592 | 64 |
| Shangchem Co., Ltd. | +86-21-68182121 | China | 881 | 52 | |
| Shanghai Hanhong Scientific Co.,Ltd. | 021-54306202 13764082696 | info@hanhongsci.com | China | 42917 | 64 |
View Latest Price from 1,4-Benzodioxane-6-carboxylic acid manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2025-04-04 | 1,4-Benzodioxane-6-carboxylic acid
4442-54-0
|
1kg | 98% | 1Ton | Henan Aochuang Chemical Co.,Ltd. | ||
 |
2019-07-06 | 1,4-Benzodioxane-6-carboxylic acid
4442-54-0
|
$1.00 | 1KG | 98% | 100KG | Career Henan Chemical Co |
-
- 1,4-Benzodioxane-6-carboxylic acid
4442-54-0
- 98%
- Henan Aochuang Chemical Co.,Ltd.
-
- 1,4-Benzodioxane-6-carboxylic acid
4442-54-0
- $1.00
- 98%
- Career Henan Chemical Co
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