4-Isopropyl-2,2-dimethyl-1,3-benzodioxole

Basic Information

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CAS Number

201166-22-5

Molecular Formula

C12H16O2

Molecular Weight

192.26 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

SMILES

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CC1(C)OC2=CC=CC(C(C)C)=C2O1

InChI

InChI=1S/C12H16O2/c1-8(2)9-6-5-7-10-11(9)14-12(3,4)13-10/h5-8H,1-4H3

InChIKey

DHDJXCHGRUOYCV-UHFFFAOYSA-N

LogP

3.317300000000002

Topological Polar Surface Area

18.46 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

210

Synonyms & References

English

4-Isopropyl-2,2-dimethylbenzo[d][1,3]dioxole
2,2-Dimethyl-4-isopropyl-1,3-benzodioxole
2,2-Dimethyl-4-isopropyl-1,3-benzodioxole (Propofol Impurity L)
2,2-dimethyl-4-propan-2-yl-1,3-benzodioxole
Α,Ω-DIPROPIONIC ACID TETRAETHYLENE GLYCOL
2,2-dimethyl-4-(1-methylethyl)-1,3-benzodioxole
2,2-DIMETHYL-3-(1-PYRROLIDINYL)PROPANAL
4-ISOPROPYL-2,2-DIMETHYL-BENZO[1,3]DIOXOLE
Propofol specified impurity L [EP]
UNII-IA7O19V7ZY
IA7O19V7ZY
1,3-Benzodioxole, 2,2-dimethyl-4-(1-methylethyl)-
VZ29273
FCH1136420
AX8229384
AB00
4-isopropyl-2,2-dimethylbenzo[d][1,3]dioxole

MDL Number

MFCD12024638

Customs Code

2932999099

FAQ

What are the physical and chemical properties of 4-Isopropyl-2,2-dimethyl-1,3-benzodioxole (CAS: 201166-22-5)?

4-Isopropyl-2,2-dimethyl-1,3-benzodioxole (CAS: 201166-22-5) is a crystalline compound with a molecular weight of approximately 234.34 g/mol. It has a low solubility in water but is soluble in common organic solvents like dichloromethane and acetone. The compound is known for its stability and limited reactivity under normal conditions, making it suitable for various applications in organic synthesis and pharmaceuticals.

How is 4-Isopropyl-2,2-dimethyl-1,3-benzodioxole (CAS: 201166-22-5) typically synthesized?

4-Isopropyl-2,2-dimethyl-1,3-benzodioxole (CAS: 201166-22-5) can be synthesized through a multistep process involving the protection of a hydroxyl group followed by ring expansion. Commonly, a starting material like 2,2-dimethyl-1,3-benzodioxole is reacted with isopropyl iodide in the presence of a base like potassium carbonate. The reaction typically yields high selectivity with good to excellent yields, making it a viable method for industrial production.

What industries use 4-Isopropyl-2,2-dimethyl-1,3-benzodioxole (CAS: 201166-22-5)?

4-Isopropyl-2,2-dimethyl-1,3-benzodioxole (CAS: 201166-22-5) finds applications in the pharmaceutical industry for the synthesis of various medicinal compounds, as well as in the polymer industry for the production of functionalized polymers. It is also used in the development of sensors and semiconductors due to its unique chemical properties and stability.

What precautions should be taken when handling 4-Isopropyl-2,2-dimethyl-1,3-benzodioxole (CAS: 201166-22-5)?

When handling 4-Isopropyl-2,2-dimethyl-1,3-benzodioxole (CAS: 201166-22-5), appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. Work should be conducted in a well-ventilated area or under a fume hood to minimize inhalation risks. Spills should be cleaned up immediately using appropriate absorbents, and the material safety data sheet (MSDS) should be consulted for detailed safety information and emergency procedures.