tert-Butyl (5-methylisoxazol-3-yl)carbamate

Basic Information

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CAS Number

97517-66-3

Molecular Formula

C9H14N2O3

Molecular Weight

198.22 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 Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

SMILES

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CC1=CC(=NO1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C9H14N2O3/c1-6-5-7(11-14-6)10-8(12)13-9(2,3)4/h5H,1-4H3,(H,10,11,12)

InChIKey

ZDQNLVVSJSRECT-UHFFFAOYSA-N

LogP

2.33002

Topological Polar Surface Area

64.36 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

213

Synonyms & References

English

tert-Butyl (5-methylisoxazol-3-yl)carbamate
3-(Boc-amino)-5-methylisoxazole
Carbamic acid,N-(5-methyl-3-isoxazolyl)-, 1,1-dimethylethyl ester
tert-butyl 5-methylisoxazol-3-ylcarbamate
tert-butyl N-(5-methyl-1,2-oxazol-3-yl)carbamate
QC-1021
1,1-Dimethylethyl N-(5-methyl-3-isoxazolyl)carbamate (ACI)
Carbamic acid, (5-methyl-3-isoxazolyl)-, 1,1-dimethylethyl ester (9CI)
(5-Methylisoxazol-3-yl)carbamic acid tert-butyl ester
3-(((tert-Butoxy)carbonyl)amino)-5-methylisoxazole
97517-66-3
DTXSID10453427
W12787
SCHEMBL2174857
AC-27127
tert-Butyl (5-methyl-1,2-oxazol-3-yl)carbamate
3-tert-butoxycarbonylamino-5-methylisoxazole
DA-17054
CS-0036490
ZDQNLVVSJSRECT-UHFFFAOYSA-N
N-Boc-5-methylisoxazol-3-amine
AS-65878
(5-methyl-isoxazol-3-yl)carbamic acid tert-butyl ester
tert-Butyl(5-methylisoxazol-3-yl)carbamate
t-Butyl (5-methylisoxazol-3-yl)carbamate
Tert-butyl N-(5-methyl-1,2-oxazol-3-yl)carbamate
SY123868
(5-Methyl-isoxazol-3-yl)-carbamic acid tert-butyl ester
AKOS014315806
MFCD11976787
CARBAMIC ACID, (5-METHYL-3-ISOXAZOLYL)-, 1,1-DIMETHYLETHYL ESTER (9CI)

MDL Number

MFCD11976787

Customs Code

2934999090

FAQ

What regulatory guidelines apply to tert-Butyl (5-methylisoxazol-3-yl)carbamate (CAS: 97517-66-3)?

Regulatory guidelines for tert-Butyl (5-methylisoxazol-3-yl)carbamate (CAS: 97517-66-3) include those under GHS (Globally Harmonized System of Classification and Labelling of Chemicals), REACH (Registration, Evaluation, Authorisation, and Restriction of Chemicals) in the EU, and FDA/EPA (Food and Drug Administration/Environmental Protection Agency) regulations in the US. Specific handling, storage, and disposal instructions must be followed to ensure compliance with these guidelines.

Are there alternatives to tert-Butyl (5-methylisoxazol-3-yl)carbamate in synthesis (CAS: 97517-66-3)?

Alternatives to tert-Butyl (5-methylisoxazol-3-yl)carbamate (CAS: 97517-66-3) in synthesis include other carbamates and isoxazoles that can serve similar functions in chemical reactions. Common substitutes include tert-Butyl isoxazole-5-carboxylate and other related compounds, each offering varying reactivity and solubility profiles.

What is the market or research trend for tert-Butyl (5-methylisoxazol-3-yl)carbamate (CAS: 97517-66-3)?

The market for tert-Butyl (5-methylisoxazol-3-yl)carbamate (CAS: 97517-66-3) is driven by its applications in organic synthesis and pharmaceutical research. Recent trends indicate increased interest in its use as a key intermediate in the synthesis of bioactive compounds. Research is also focusing on its potential in new drug development and materials science.

How should waste containing tert-Butyl (5-methylisoxazol-3-yl)carbamate (CAS: 97517-66-3) be handled?

Waste containing tert-Butyl (5-methylisoxazol-3-yl)carbamate (CAS: 97517-66-3) should be collected in appropriate containers and disposed of through professional waste disposal services. Incineration is a common method for disposal, ensuring that the compound is fully destructed. Environmental protection measures should include the prevention of waste leakage and proper documentation of disposal procedures to adhere to environmental regulations.