3-Neopentylisoxazol-5-amine

Basic Information

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CAS Number

749902-10-1

Molecular Formula

C8H14N2O

Molecular Weight

154.21 g/mol

Chemical Classification

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(C)(C)CC1=NOC(=C1)N

InChI

InChI=1S/C8H14N2O/c1-8(2,3)5-6-4-7(9)11-10-6/h4H,5,9H2,1-3H3

InChIKey

YHCHATDVXPJZKU-UHFFFAOYSA-N

LogP

1.8454

Topological Polar Surface Area

52.05 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

131

Synonyms & References

English

3-(2,2-dimethylpropyl)-1,2-oxazol-5-amine
749902-10-1
MLS000335602
EN300-09773
3-neopentylisoxazol-5-amine
AM804319
5-Isoxazolamine,3-(2,2-dimethylpropyl)-(9CI)
CS-0455480
AKOS008967588
MFCD06335752
CHEMBL1499749
HMS2538J21
SCHEMBL9108050
Z56987690
ZEB90210
AS-66309
J-510459
SMR000253356
HMS1755K19
5-Isoxazolamine,3-(2,2-dimethylpropyl)-
3-(2,2-Dimethylpropyl)-1,2-oxazol-5-amine
3-(2,2-dimethyl-propyl)-isoxazol-5-ylamine

MDL Number

MFCD06335752

FAQ

What are the physical and chemical properties of 3-Neopentylisoxazol-5-amine (CAS: 749902-10-1)?

3-Neopentylisoxazol-5-amine (CAS: 749902-10-1) is a white crystalline solid with a molecular weight of approximately 166.23 g/mol. It is slightly soluble in water and has good solubility in organic solvents such as methanol and ethanol. Chemically, it is stable under normal conditions but can react with strong acids to form ammonium salts. It is a versatile amine derivative with potential applications in pharmaceuticals and fine chemicals.

How is 3-Neopentylisoxazol-5-amine (CAS: 749902-10-1) typically synthesized?

3-Neopentylisoxazol-5-amine (CAS: 749902-10-1) can be synthesized through the reaction of isoxazole-5-carbonyl chloride with 2,2-dimethylpropan-1-amine. The synthesis involves the use of a phase transfer catalyst and debenzylation steps. The yield is typically between 65% and 75%, with good selectivity for the desired product.

What industries use 3-Neopentylisoxazol-5-amine (CAS: 749902-10-1)?

3-Neopentylisoxazol-5-amine (CAS: 749902-10-1) is primarily used in the pharmaceutical and fine chemical industries. It serves as a key intermediate in the synthesis of various drugs and can also be utilized in the development of new materials for sensors and semiconductors.

What precautions should be taken when handling 3-Neopentylisoxazol-5-amine (CAS: 749902-10-1)?

When handling 3-Neopentylisoxazol-5-amine (CAS: 749902-10-1), appropriate personal protective equipment (PPE) such as gloves, goggles, and lab coats should be worn. The compound should be stored in a cool, dry place away from direct sunlight. Spills should be cleaned up using appropriate absorbent materials and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for specific handling instructions and emergency procedures.