CAS 77-76-9|Acetone dimethyl acetal 98%|2,2-dimethoxypropane|2,2-Dimethoxypropane|2,2-dimethoxypropane|2,2-Dimethoxypropane|2,2-二甲氧基丙烷|丙酮缩二甲醇|acetone dimethyl acetal|DMP|2,2-Dimethoxypro...

General Information

Structure

Molecular Formula

C₅H₁₂O₂

Molecular Mass

104.14758

Exact Mass

104.08372962

Charge

InChI

InChI=1S/C5H12O2/c1-5(2,6-3)7-4/h1-4H3

InChIKey

HEWZVZIVELJPQZ-UHFFFAOYSA-N

Canonic Smiles

COC(OC)(C)C

Isomeric Smiles

O(C(OC)(C)C)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

0.6652705

LogD (pH = 7.4)

0.6652705

Log P

0.6652705

Molar Refractivity

28.7296

Polarizability

11.331112

Polar Surface Area

18.46

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

Acetone dimethyl acetal 98%2,2-Dimethoxypropane2,2-二甲氧基丙烷丙酮缩二甲醇DMP2,2-Dimethoxypropaneacetone dimethyl acetal2,2-DimethoxypropaneACETONE DIMETHYL ACETAL

IUPAC name

2,2-dimethoxypropane

IUPAC Traditional name

2,2-dimethoxypropane

Names and Identifiers

Registration numbers

EC Number

Beilstein Number

MDL Number

CAS Number

PubChem SID

248932722485987024886512162042919

PubChem CID

6495

Wikipedia Title

2,2-Dimethoxypropane

Chemspider ID

6250

Registration numbers

Properties

Safety Information

Highly Flammable/Irritant/Moisture Sensitive

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Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

Wikipedia

2,2-Dimethoxypropane

Sigma Aldrich

D136808

Application
Reagent for the preparation of 1,2-diols as acetonides.1
Packaging
18 L in steel drum
25, 500 mL in glass bottle
2, 2.5 L in glass bottle

Molecule Details

References

PubChem Literature

From Data Sources

• Widely used for the isopropylidenation of diols; see, e.g.: Org. Synth. Coll., 9, 450, 717 (1998). Isopropylidenation of acid-sensitive carbohydrates in the presence of 2,3-Dichloro-5,6-dicyanobenzoquinone, A11879: Acta Chem. Scand., 47, 843 (1993); preparation of acyclic mixed acetals of carbohydrates: Acta Chem. Scand., 48, 80 (1994). For use in the cyclization of N-Boc serine methyl ester to the oxazolidine, see: Org. Synth. Coll., 9, 300 (1998).

• Methyl ester hydrochlorides of amino acids can be conveniently prepared with excess reagent in combination with conc. HCl. Water is removed in situ, thus displacing the equilibrium in favor of the ester: J. Org. Chem., 28, 3898 (1963). Methyl esters of non-aromatic acids can also be prepared with the reagent in MeOH with a catalytic amount of HCl or TMS chloride: Tetrahedron Lett., 38, 2685 (1997).

• Methoxylating agent for preparation of acetals by acid-catalyzed exchange: J. Org. Chem., 25, 521 (1960). Also used as a water-scavenger in the preparation of acetals from higher-boiling alcohols and ketones: Org. Synth. Coll., 5, 292 (1973).

References

Bioactivity

PubChem BioAssay

Bioactivity

Names and Identifiers

Synonyms

Acetone dimethyl acetal 98%2,2-Dimethoxypropane2,2-二甲氧基丙烷丙酮缩二甲醇DMP2,2-Dimethoxypropaneacetone dimethyl acetal2,2-DimethoxypropaneACETONE DIMETHYL ACETAL

IUPAC name

2,2-dimethoxypropane

IUPAC Traditional name

2,2-dimethoxypropane

Registration numbers

EC Number

201-056-0

Beilstein Number

635678

MDL Number

MFCD00008479

CAS Number