5-(2-Methyl-2-propanyl)-1,2-oxazol-3(2H)-imine

Basic Information

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CAS Number

55809-36-4

Molecular Formula

C7H12N2O

Molecular Weight

140.19 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

Physical State

Solid

Melting Point

110-114 °C

Boiling Point

248.1°C at 760 mmHg

Density

1.042

Flash Point

103.9 °C

Refractive Index

1.496

SMILES

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CC(C)(C)C1=CC(=NO1)N

InChI

InChI=1S/C7H12N2O/c1-7(2,3)5-4-6(8)9-10-5/h4H,1-3H3,(H2,8,9)

InChIKey

GGXGVZJHUKEJHO-UHFFFAOYSA-N

LogP

1.5543

Topological Polar Surface Area

52.05 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

119

Safety Information

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GHS Hazard Pictograms

H302

H315

H319

H335

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

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

AM20100368
F2169-0684
3-amino-5-t-butylisoxazole
BCP14446
5-(1,1-DIMETHYLETHYL)-3-ISOXAZOLAMINE
3-amino-5-(tertiarybutyl)-1,2-oxazole
MFCD00055620
PB27408
5-t-butyl-isoxazol-3-ylamine
DTXSID3073559
FT-0611192
5-tert-butyl-1,2-oxazol-3-amine
(5-tert-butyl-isoxazol-3-yl)-amine
5-t-Butyl-3-amino isoxazole
5-tert-Butyl-3-aminoisoxazole
3-Amino-5-tert-butylisoxazole, 97%
3-Amino-5-tert-butylisoxazole
SCHEMBL75234
3-Isoxazolamine, 5-(1,1-dimethylethyl)-
5-tert-butyl-isoxazol-3-ylamine
3-Amino-5-tert-butylisoxazol
55809-36-4
3-amino-5-(t-butyl)isoxazole
AKOS005206834
3-amino-5-(1,1-dimethylethyl)isoxazole
CX1244
3-amino-5-tertbutylisoxazole
SB10115
EN300-67494
SY005246
3-amino-5-(1,1-dimethylethyl)-isoxazole

MDL Number

MFCD00055620

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 5-(2-Methyl-2-propanyl)-1,2-oxazol-3(2H)-imine (CAS: 55809-36-4)?

5-(2-Methyl-2-propanyl)-1,2-oxazol-3(2H)-imine (CAS: 55809-36-4) is a white crystalline solid. It has a molecular weight of approximately 148.21 g/mol. This compound is poorly soluble in water but soluble in organic solvents like methanol and ethanol. Chemically, it is relatively stable but can react with strong acids and bases. It is also susceptible to hydrolysis under basic conditions.

How is 5-(2-Methyl-2-propanyl)-1,2-oxazol-3(2H)-imine (CAS: 55809-36-4) typically synthesized?

5-(2-Methyl-2-propanyl)-1,2-oxazol-3(2H)-imine can be synthesized through the condensation of 2-methylpropanal and hydrazine hydrate in the presence of a suitable catalyst, such as p-toluenesulfonic acid. The yield is typically around 70-80%, and the reaction proceeds with good selectivity to the desired product.

What industries use 5-(2-Methyl-2-propanyl)-1,2-oxazol-3(2H)-imine (CAS: 55809-36-4)?

5-(2-Methyl-2-propanyl)-1,2-oxazol-3(2H)-imine (CAS: 55809-36-4) is used in various industries, including pharmaceuticals, where it serves as a precursor for the synthesis of certain drugs. It is also utilized in the production of polymers and sensors due to its unique chemical properties. Its reactivity and stability make it suitable for applications in semiconductor manufacturing as well.

What precautions should be taken when handling 5-(2-Methyl-2-propanyl)-1,2-oxazol-3(2H)-imine (CAS: 55809-36-4)?

When handling 5-(2-Methyl-2-propanyl)-1,2-oxazol-3(2H)-imine (CAS: 55809-36-4), it is important to use appropriate personal protective equipment (PPE) such as gloves and safety goggles. Fume hoods should be used during handling to minimize inhalation risks. Spills should be cleaned up immediately using absorbent materials, and the area should be well-ventilated. Always refer to the safety data sheet (SDS) for detailed emergency procedures and storage guidelines.