2-Methyl-2-propanyl {1-[methoxy(methyl)amino]-1-oxo-4-pentyn-2-yl}carbamate

Basic Information

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CAS Number

1172623-95-8

Molecular Formula

C12H20N2O4

Molecular Weight

256.3 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 Nitriles

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

103-104 ºC

SMILES

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CC(C)(C)OC(=O)NC(CC#C)C(=O)N(C)OC

InChI

InChI=1S/C12H20N2O4/c1-7-8-9(10(15)14(5)17-6)13-11(16)18-12(2,3)4/h1,9H,8H2,2-6H3,(H,13,16)

InChIKey

NWNAEETYPITDNG-UHFFFAOYSA-N

LogP

1.31370

Complexity

351

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

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

Synonyms & References

English

tert-Butyl [1-[methoxy(methyl)amino]-1-oxo-4-pentyn-2-yl]carbamate
Tert-butyl (1-(methoxy(methyl)amino)-1-oxopent-4-yn-2-yl)carbamate
Tert-butyl (1-(methoxy(methTert-butyl (1-(methoxy(methyl)amino)-1-oxopent-4-yn-2-yl)carbamate
tert-butyl 1-(methoxy(methyl)amino)-1-oxopent-4-yn-2-ylcarbamate
tert-butyl (1-[methoxy(methyl)amino]-1-oxopent-4-yn-2-yl)carbamate
(S)-TERT-BUTYL (1-(METHOXY(METHYL)AMINO)-1-OXOPENT-4-YN-2-YL)CARBAMATE
NWNAEETYPITDNG-UHFFFAOYSA-N
SY237910
AK174058
2-(Boc-amino)-N-methoxy-N-methyl-4-pentynamide
tert-Butyl
tert-butyl (1-((methoxymethyl)amino)-1-oxopent-4-yn-2-yl)carbamate

MDL Number

MFCD24470975

FAQ

What are the physical and chemical properties of 2-Methyl-2-propanyl {1-[methoxy(methyl)amino]-1-oxo-4-pentyn-2-yl}carbamate (CAS: 1172623-95-8)?

2-Methyl-2-propanyl {1-[methoxy(methyl)amino]-1-oxo-4-pentyn-2-yl}carbamate is a colorless to yellowish oil at room temperature with a molecular weight of approximately 422.52 g/mol. It is poorly soluble in water but soluble in organic solvents like methanol and dichloromethane. Chemically, it is reactive due to the presence of a carbamate group and an alkyne function.

How is 2-Methyl-2-propanyl {1-[methoxy(methyl)amino]-1-oxo-4-pentyn-2-yl}carbamate (CAS: 1172623-95-8) typically synthesized?

2-Methyl-2-propanyl {1-[methoxy(methyl)amino]-1-oxo-4-pentyn-2-yl}carbamate can be synthesized via a multistep reaction involving the formation of an amino functional group followed by alkylation and acetylation. The reaction typically proceeds with high selectivity and yields up to 90% of the desired product.

What industries use 2-Methyl-2-propanyl {1-[methoxy(methyl)amino]-1-oxo-4-pentyn-2-yl}carbamate (CAS: 1172623-95-8)?

2-Methyl-2-propanyl {1-[methoxy(methyl)amino]-1-oxo-4-pentyn-2-yl}carbamate is primarily used in the pharmaceutical and chemical industries for the synthesis of certain compounds. It may also find use in the development of sensor technologies and as a precursor in some polymer synthesis processes.

What precautions should be taken when handling 2-Methyl-2-propanyl {1-[methoxy(methyl)amino]-1-oxo-4-pentyn-2-yl}carbamate (CAS: 1172623-95-8)?

When handling 2-Methyl-2-propanyl {1-[methoxy(methyl)amino]-1-oxo-4-pentyn-2-yl}carbamate, it is important to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Ensure the use of a fume hood during operations to minimize inhalation risks. In case of a spill, avoid direct contact and clean up using absorbent materials. Refer to the Safety Data Sheet (SDS) for detailed emergency procedures and storage guidelines.