1-(3,5-Dimethyl-1,2-oxazol-4-yl)methanamine

Basic Information

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CAS Number

131052-47-6

Molecular Formula

C6H10N2O

Molecular Weight

126.16 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

Boiling Point

239.9°C at 760 mmHg

SMILES

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CC1=C(C(=NO1)C)CN

InChI

InChI=1S/C6H10N2O/c1-4-6(3-7)5(2)9-8-4/h3,7H2,1-2H3

InChIKey

CXRIJWLNQSZJTG-UHFFFAOYSA-N

LogP

0.75014

Topological Polar Surface Area

52.05 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

97.1

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

(3,5-Dimethylisoxazol-4-yl)methanamine
4-Isoxazolemethanamine,3,5-dimethyl-
AM20210038
A23382
C-(3,5-Dimethyl-isoxazol-4-yl)-methylamine
[(3,5-DIMETHYL-4-ISOXAZOLYL)METHYL]AMINE HCL
4-Isoxazolemethanamine, 3,5-dimethyl-
AB87211
FT-0646793
(3,5-dimethyl-1,2-oxazol-4-yl)methanamine
4-aminomethyl-3,5-dimethylisoxazole, AldrichCPR
MFCD06213033
(dimethyl-1,2-oxazol-4-yl)methanamine
4-(Aminomethyl)-3,5-dimethylisoxazole
STK502098
1-(3,5-dimethyl-1,2-oxazol-4-yl)methanamine
131052-47-6
(3,5-dimethylisoxazol-4-yl)methylamine
BB 0253877
SCHEMBL3906075
C-(3,5-Dimethylisoxazol-4-yl)methylamine
SY035342
4-Aminomethyl-3,5-dimethylisoxazole;(3,5-Dimethylisoxazol-4-yl)methanamine
DTXSID00452005
CXRIJWLNQSZJTG-UHFFFAOYSA-N
AKOS002160479
BS-3759
N12339
EN300-55098
CS-W006542
4-Aminomethyl-3,5-dimethylisoxazole

MDL Number

MFCD06213033

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 1-(3,5-Dimethyl-1,2-oxazol-4-yl)methanamine (CAS: 131052-47-6)?

1-(3,5-Dimethyl-1,2-oxazol-4-yl)methanamine is a colorless to white crystalline solid with a molecular weight of approximately 212.25 g/mol. It has a high solubility in organic solvents like ethanol and dimethyl sulfoxide. Chemically, it is relatively stable but can react with strong acids and bases. The compound is also known for its ability to form complexes with metal ions.

How is 1-(3,5-Dimethyl-1,2-oxazol-4-yl)methanamine (CAS: 131052-47-6) typically synthesized?

1-(3,5-Dimethyl-1,2-oxazol-4-yl)methanamine can be synthesized via the reaction of 3,5-dimethyl-1,2-oxazole with methylene chloride followed by hydrolysis. The process typically requires careful control of pH and temperature to achieve high yield and purity. Commonly used solvents include acetic acid and water, with a yield of around 85-90%.

What industries use 1-(3,5-Dimethyl-1,2-oxazol-4-yl)methanamine (CAS: 131052-47-6)?

1-(3,5-Dimethyl-1,2-oxazol-4-yl)methanamine finds applications in the pharmaceutical, polymer, and sensor industries. It is used as a precursor in the synthesis of pharmaceuticals, as a stabilizer in polymer formulations, and as a component in the development of various sensors due to its reactive functional groups.

What precautions should be taken when handling 1-(3,5-Dimethyl-1,2-oxazol-4-yl)methanamine (CAS: 131052-47-6)?

When handling 1-(3,5-Dimethyl-1,2-oxazol-4-yl)methanamine, wear appropriate personal protective equipment (PPE) including gloves, safety glasses, and a lab coat to protect against skin contact and eye irritation. Store in a fume hood and avoid inhalation. In case of a spill, immediately clean up with a spill kit and ensure proper disposal. Always consult the Safety Data Sheet (SDS) for detailed information.