(2R)-2,3-Dihydro-1,4-benzodioxine-2-carboxylic acid

Basic Information

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CAS Number

70918-53-5

Molecular Formula

C9H8O4

Molecular Weight

180.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Physical State

White to Yellow Solid

Melting Point

96-99 °C

Specific Rotation

83 º (c=1.5% in chloroform)

SMILES

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C1C(OC2=CC=CC=C2O1)C(=O)O

InChI

InChI=1S/C9H8O4/c10-9(11)8-5-12-6-3-1-2-4-7(6)13-8/h1-4,8H,5H2,(H,10,11)/t8-/m1/s1

InChIKey

HMBHAQMOBKLWRX-MRVPVSSYSA-N

LogP

0.9109999999999996

Topological Polar Surface Area

55.760000000000005 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

204

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

(R)-2,3-Dihydro-benzo[1,4]dioxine-2-carboxylic acid
AMY21352
(R)-1,4-Benzodioxan-2-CarboxylicAcid
1,4-Benzodioxin-2-carboxylic acid, 2,3-dihydro-, (2R)-
A9322
(3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid
(2r)-2,3-Dihydro-1,4-Benzodioxine-2-Carboxylic Acid
(R)-2 pound not3-Dihydro-benzo[1 pound not4]dioxine-2-carboxylic acid
(R)-1,4-Benzodioxane-2-carboxylic acid
DTXSID80350737
(R)-1,4-Benzodioxane-2-carboxylic acid, >=97.0% (sum of enantiomers, GC)
Q27451705
BCP15476
HMBHAQMOBKLWRX-MRVPVSSYSA-N
(R)-2,3-dihydrobenzo[1,4]dioxine-2-carboxylic acid
AS-37657
AC-30247
AKOS016842394
(2R)-2,3-dihydro-1,4-benzodioxin-2-carboxylic acid
SCHEMBL566636
70918-53-5
(R)-1,4-Benzodioxane-2-carboxylicacid
(R)-2,3-dihydrobenzo[b][1,4]dioxine-2-carboxylic acid
CS-W016009
(r)-1,4-benzodioxane 2-carboxylic acid
MFCD00239407
R-1,4-Benzodioxane-2-carboxylic acid
(R)-2,3-Dihydrobenzo[1,4]dioxine-2-carboxylic Acid

MDL Number

MFCD00239407

Customs Code

2932999099

FAQ

What are the physical and chemical properties of (2R)-2,3-Dihydro-1,4-benzodioxine-2-carboxylic acid (CAS: 70918-53-5)?

(2R)-2,3-Dihydro-1,4-benzodioxine-2-carboxylic acid is a white or light yellow crystalline solid with a molecular weight of approximately 192.22 g/mol. It has a pKa of about 4.6 and is slightly soluble in water. This compound is chemically stable under normal conditions but can react with bases to form salts, and it may undergo ring-opening reactions in strong acids. It is often used in organic synthesis and as a building block in pharmaceuticals and dyes.

How is (2R)-2,3-Dihydro-1,4-benzodioxine-2-carboxylic acid (CAS: 70918-53-5) typically synthesized?

(2R)-2,3-Dihydro-1,4-benzodioxine-2-carboxylic acid can be synthesized via a multi-step process involving condensation of a suitable precursor with a carboxylic acid. Common methods include the Wittig reaction followed by acidification or direct condensation of a benzodioxolone with a carboxylic acid. Yield and selectivity can be improved with the use of appropriate catalysts and solvents. Detailed procedures are often found in journal articles and patents.

What industries use (2R)-2,3-Dihydro-1,4-benzodioxine-2-carboxylic acid (CAS: 70918-53-5)?

(2R)-2,3-Dihydro-1,4-benzodioxine-2-carboxylic acid finds applications in various industries. It is primarily used in the pharmaceutical sector as a precursor for drug synthesis and in the production of organic dyes. It also has potential use in the polymer industry for the development of functional polymers and in the sensor industry for its electrophilic character. Additionally, it can be utilized in the semiconductor industry for specialized chemical processes.

What precautions should be taken when handling (2R)-2,3-Dihydro-1,4-benzodioxine-2-carboxylic acid (CAS: 70918-53-5)?

When handling (2R)-2,3-Dihydro-1,4-benzodioxine-2-carboxylic acid, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Use a fume hood to minimize exposure to vapors. Spills should be cleaned up using appropriate chemical spill kits and the area should be well-ventilated. Always consult the Material Safety Data Sheet (MSDS) for detailed safety information and emergency procedures. Handle this compound with care due to its potential reactivity with bases and acids.