ChemicalBook > CAS DataBase List > 1,4-Benzodioxane-6-carboxylic acid

1,4-Benzodioxane-6-carboxylic acid

Product Name
1,4-Benzodioxane-6-carboxylic acid
CAS No.
4442-54-0
Chemical Name
1,4-Benzodioxane-6-carboxylic acid
Synonyms
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;1,4-Benzodioxane-6-c;1,4-Benzodioxane-6-carboxyL
CBNumber
CB6326229
Molecular Formula
C9H8O4
Formula Weight
180.16
MOL File
4442-54-0.mol
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1,4-Benzodioxane-6-carboxylic acid Property

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
InChIKey
JWZQJTGQFHIRFQ-UHFFFAOYSA-N
CAS DataBase Reference
4442-54-0(CAS DataBase Reference)
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Safety

Hazard Codes 
Xi
Risk Statements 
36/37/38
Safety Statements 
26-36
WGK Germany 
3
HazardClass 
IRRITANT
HS Code 
2932990090
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P271Use only outdoors or in a well-ventilated area.

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.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
658375
Product name
1,4-Benzodioxane-6-carboxylic acid
Purity
97%
Packaging
25g
Price
$172
Updated
2025/07/31
Sigma-Aldrich
Product number
658375
Product name
1,4-Benzodioxane-6-carboxylic acid
Purity
97%
Packaging
5g
Price
$177
Updated
2025/07/31
TCI Chemical
Product number
B3764
Product name
1,4-Benzodioxane-6-carboxylic Acid
Purity
>98.0%(GC)(T)
Packaging
5g
Price
$78
Updated
2025/07/31
TCI Chemical
Product number
B3764
Product name
1,4-Benzodioxane-6-carboxylic Acid
Purity
>98.0%(GC)(T)
Packaging
25g
Price
$223
Updated
2025/07/31
TRC
Product number
E917795
Product name
3,4-EthylenedioxybenzoicAcid
Packaging
5g
Price
$50
Updated
2021/12/16
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1,4-Benzodioxane-6-carboxylic acid Chemical Properties,Usage,Production

Chemical Properties

White to Off-White Solid

Uses

3,4-Ethylenedioxybenzoic Acid is used in the preparation of new anti-inflammatory compounds containing the 1,4-benzodioxine system.

Uses

1,4-Benzodioxane-6-carboxylic 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

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1,4-Benzodioxane-6-carboxylic acid Suppliers

J & K SCIENTIFIC LTD.
Tel
18210857532; 18210857532
Fax
86-10-82849933
Email
jkinfo@jkchemical.com
Country
China
ProdList
96815
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76
Meryer (Shanghai) Chemical Technology Co., Ltd.
Tel
4006356688 18621169109
Fax
86-21-61259102
Email
market03@meryer.com
Country
China
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TCI (Shanghai) Development Co., Ltd.
Tel
021-67121386
Fax
021-67121385
Email
Sales-CN@TCIchemicals.com
Country
China
ProdList
24529
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Energy Chemical
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021-021-58432009 400-005-6266
Fax
021-58436166
Email
sales8178@energy-chemical.com
Country
China
ProdList
44801
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Wuhan Chemwish Technology Co., Ltd
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86-027-67849912
Fax
86-027-87531808
Email
sales@chemwish.com
Country
China
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35896
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Capot Chemical Co., Ltd
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+86 (0) 571 85 58 67 18
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0086-571-85864795
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China
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18207
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Shanghai Sinch Parmaceuticals Tech. Co. Ltd.
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+86-21-54098501
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+86-21-54096319
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sales@sinch.com.cn
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China
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Shangchem Co., Ltd.
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+86-21-68182121
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+86-21-68182121
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China
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Shanghai Hanhong Scientific Co.,Ltd.
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021-54306202 13764082696
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info@hanhongsci.com
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China
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Chemsky(shanghai)International Co.,Ltd.
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021-50135380
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shchemsky@sina.com
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China
ProdList
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View Lastest Price from 1,4-Benzodioxane-6-carboxylic acid manufacturers

Career Henan Chemical Co
Product
1,4-Benzodioxane-6-carboxylic acid 4442-54-0
Price
US $1.00/KG
Min. Order
1KG
Purity
98%
Supply Ability
100KG
Release date
2018-12-24

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