ChemicalBook--->CAS DataBase List--->4442-54-0

4442-54-0

4442-54-0 Structure

4442-54-0 Structure
IdentificationMore
[Name]

1,4-Benzodioxane-6-carboxylic acid
[CAS]

4442-54-0
[Synonyms]

1,4-BENZODIOXANE-6-CARBOXYLIC ACID
2,3-DIHYDRO-1,4-BENZODIOXINE-6-CARBOXYLIC ACID
2,3-DIHYDRO-BENZO[1,4]DIOXINE-6-CARBOXYLIC ACID
2,3-DIHYDROBENZO[B][1,4]DIOXINE-6-CARBOXYLIC ACID
3,4-(ETHYLENEDIOXY)BENZOIC ACID
AKOS B013959
AKOS BBS-00005369
ART-CHEM-BB B013959
BUTTPARK 85\15-10
CHEMBRDG-BB 4003145
RARECHEM AL BO 1905
TIMTEC-BB SBB007047
3,4-(ETHYLENEDIOXY)BENZOIC ACID 98%
2,3-Dihydro-1,4-Benzodioxine-6
[Molecular Formula]

C9H8O4
[MDL Number]

MFCD00463509
[Molecular Weight]

180.16
[MOL File]

4442-54-0.mol
Chemical PropertiesBack Directory
[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)
[form ]

Crystalline Solid
[pka]

4.37±0.20(Predicted)
[color ]

Pale brown
[InChIKey]

JWZQJTGQFHIRFQ-UHFFFAOYSA-N
[CAS DataBase Reference]

4442-54-0(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[HazardClass ]

IRRITANT
[HS Code ]

2932990090
Hazard InformationBack Directory
[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]

1,4-BENZODIOXAN-6-CARBOXALDEHYDE

29668-44-8

1,4-Benzodioxane-6-carboxylic acid

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
Spectrum DetailBack Directory
[Spectrum Detail]

1,4-Benzodioxane-6-carboxylic acid(4442-54-0)1HNMR
1,4-Benzodioxane-6-carboxylic acid(4442-54-0)FT-IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2,3-dihydro-1,4-benzodioxine-6-carboxylic acid(4442-54-0)
[Sigma Aldrich]

4442-54-0(sigmaaldrich)
4442-54-0 suppliers list
Company Name: Capot Chemical Co.,Ltd.
Tel: +8613336195806 , +8613336195806
Website: www.capot.com
Company Name: career henan chemical co
Tel: +86-0371-86658258 +8613203830695 , +8613203830695
Website: www.coreychem.com/
Company Name: Alchem Pharmtech,Inc.
Tel: 8485655694
Website: www.chemicalbook.com/ShowSupplierProductsList454175/0_EN.htm
Company Name: Wuhan Chemwish Technology Co., Ltd
Tel: 027-67849912
Website: www.chemicalbook.com/ShowSupplierProductsList485773/0_EN.htm
Company Name: CONIER CHEM AND PHARMA LIMITED
Tel: +8618523575427 , +8618523575427
Website: http://www.conier.com/
Company Name: SIMAGCHEM CORP
Tel: +86-5922680277 +86-13806087780 , +86-13806087780
Website: http://www.simagchem.com/
Company Name: Hefei TNJ Chemical Industry Co.,Ltd.
Tel: +86-0551-65418671 +8618949823763 , +8618949823763
Website: www.tnjchem.com
Company Name: Win-Win chemical CO., Limited
Tel: +86-0086-577-64498589 +86-15355981851 , +86-15355981851
Website: https://www.win-winchemical.com/
Company Name: Alfa Chemistry
Tel:
Website: www.chemicalbook.com/ShowSupplierProductsList1423038/0.htm
Company Name: Dayang Chem (Hangzhou) Co.,Ltd.
Tel: +86-0571-88938639 +8617705817739 , +8617705817739
Website: www.dycnchem.com/
Company Name: Henan Alfa Chemical Co., Ltd
Tel: +8615838112936 , +8615838112936
Website: www.chemicalbook.com/manufacturer/henan-alfa-chemical-570/
Company Name: Hebei Fengjia New Material Co., Ltd
Tel: +86-0311-87836622 +86-18712993135 , +86-18712993135
Website: www.chemicalbook.com/ShowSupplierProductsList1283525/0_EN.htm
Company Name: LEAP CHEM CO., LTD.
Tel: +86-852-30606658 19957148339; , 19957148339;
Website: https://www.leapchem.com
Company Name: Henan Aochuang Chemical Co.,Ltd.
Tel: +86-0371-63689365 +8618638391208 , +8618638391208
Website: http://www.aochuangchem.com/
Company Name: PT CHEM GROUP LIMITED
Tel: +86-85511178;
Website: https://www.chemicalbook.com/manufacturer/henan-lihao-chem-plant-25020/
Company Name: GIHI CHEMICALS CO.,LIMITED
Tel: +8618058761490 , +8618058761490
Website: www.gihichem.com/
Company Name: SUZHOU SENFEIDA CHEMICAL CO.,LTD
Tel: +86-0512-83500002 +8618662433356 , +8618662433356
Website: www.sfdchem.com/
Company Name: Shanghai Acmec Biochemical Technology Co., Ltd.
Tel: +86-18621343501; +undefined18621343501 , +undefined18621343501
Website: http://www.acmec.com.cn/
Tags:4442-54-0 Related Product Information
65-85-0 3737-95-9 123-91-1 27176-87-0 877-24-7 121-91-5 25265-78-5 26264-06-2 88-99-3 117-81-7 118-92-3 4442-53-9 34385-93-8 70918-53-5 3663-80-7 4442-54-0

  • HomePage | Member Companies | Advertising | Contact us | Previous WebSite | MSDS | CAS Index | CAS DataBase | Privacy | Terms | About Us
  • All products displayed on this website are only for non-medical purposes such as industrial applications or scientific research, and cannot be used for clinical diagnosis or treatment of humans or animals. They are not medicinal or edible.
    According to relevant laws and regulations and the regulations of this website, units or individuals who purchase hazardous materials should obtain valid qualifications and qualification conditions.
  • Copyright © 2023 ChemicalBook All rights reserved.