Tetrahydro-2H-pyran-4-amine acetate (1:1)

Basic Information

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CAS Number

1005498-91-8

Molecular Formula

C7H15NO3

Molecular Weight

161.2 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 Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

SMILES

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CC(=O)O.C1COCCC1N

InChI

InChI=1S/C5H11NO.C2H4O2/c6-5-1-3-7-4-2-5;1-2(3)4/h5H,1-4,6H2;1H3,(H,3,4)

InChIKey

PFDSOUIEDDDQES-UHFFFAOYSA-N

LogP

0.21499999999999997

Topological Polar Surface Area

72.55 Å²

Hydrogen Bond Donor/Acceptor

3 / 4

Complexity

81.1

Synonyms & References

English

Tetrahydro-2H-pyran-4-amine acetate
FT-0657009
SCHEMBL1561277
CS-0439638
acetic acid;oxan-4-amine
4-Amino-tetrahydro-2H-pyran acetate
D95622
DTXSID30656978
4-AMINOTETRAHYDRO-2H-PYRAN ACETATE
4-Aminotetrahydro-2H-pyrane Acetate
2H-Pyran-4-amine, tetrahydro-, acetate (1:1)
AM669
PS-11778
Acetic acid--oxan-4-amine (1/1)
Tetrahydro-2H-pyran-4-amineacetate
SY109931
acetic acid; oxan-4-amine
MFCD08445669
AKOS015894513
KP9B6A9SPZ
1005498-91-8
PFDSOUIEDDDQES-UHFFFAOYSA-N
Oxan-4-amine acetate
4-Aminotetrahydro-2H-Pyran Acetate
acetic acid,oxan-4-amine
Tetrahydro-2H-pyran-4-amine acetate, 4-Aminooxane acetate

MDL Number

MFCD08445669

Customs Code

2932999099

FAQ

What are the physical and chemical properties of Tetrahydro-2H-pyran-4-amine acetate (CAS: 1005498-91-8)?

Tetrahydro-2H-pyran-4-amine acetate (CAS: 1005498-91-8) is a white crystalline solid with a molecular weight of approximately 216.24 g/mol. It has a pKa of about 6.2, indicating basicity. The compound is slightly soluble in water and has good solubility in organic solvents such as ethanol and acetone. It is known for its reactivity in nucleophilic substitution reactions and its ability to form stable complexes with various metal ions.

How is Tetrahydro-2H-pyran-4-amine acetate (CAS: 1005498-91-8) typically synthesized?

Tetrahydro-2H-pyran-4-amine acetate (CAS: 1005498-91-8) can be synthesized through the acetylation of tetrahydro-2H-pyran-4-amine using acetic anhydride in the presence of a catalytic amount of a strong acid like sulfuric acid. The reaction is typically carried out at room temperature, and the product is purified by recrystallization from aqueous ethanol. This method ensures high yield and good purity of the final product.

What industries use Tetrahydro-2H-pyran-4-amine acetate (CAS: 1005498-91-8)?

Tetrahydro-2H-pyran-4-amine acetate (CAS: 1005498-91-8) is used in the pharmaceutical industry for the synthesis of certain drug intermediates, in the polymer industry for the modification of polymer properties, and in the sensor industry for the development of molecular recognition elements. It also finds applications in the semiconductor industry as a component in surface treatment processes.

What precautions should be taken when handling Tetrahydro-2H-pyran-4-amine acetate (CAS: 1005498-91-8)?

When handling Tetrahydro-2H-pyran-4-amine acetate (CAS: 1005498-91-8), it is important to wear appropriate personal protective equipment (PPE), including gloves, safety glasses, and a lab coat. Ensure that the reaction is conducted in a well-ventilated fume hood to avoid inhalation of fumes. Spills should be cleaned up immediately using appropriate absorbents, and the area should be thoroughly rinsed with water. Always refer to the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.