2-Methyl-2-propanyl 3,9-diazaspiro[5.5]undecane-3-carboxylate

Basic Information

View in Editor

CAS Number

173405-78-2

Molecular Formula

C14H26N2O2

Molecular Weight

254.37 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 Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

White to Yellow Solid

Melting Point

0°C

Boiling Point

0°C

Flash Point

0°C

SMILES

View in Editor

CC(C)(C)OC(=O)N1CCC2(CCNCC2)CC1

InChI

InChI=1S/C14H26N2O2/c1-13(2,3)18-12(17)16-10-6-14(7-11-16)4-8-15-9-5-14/h15H,4-11H2,1-3H3

InChIKey

YLKHACHFJMCIRE-UHFFFAOYSA-N

LogP

2.3871

Topological Polar Surface Area

41.57 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

293

Safety Information

View Safety Information

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

CS-W008818
3,9-DIAZA-SPIRO[5.5]UNDECANE-3-CARBOXYLICACIDTERT-BUTYLESTER
AM20090034
A3832
EN300-170883
173405-78-2
3-tert-butoxycarbonyl-3,9-diaza-spiro[5.5]undecane
SCHEMBL118654
3,9-Diazaspiro[5.5]undecane-3-carboxylic acid tert-butyl ester
3,9-diazaspiro[5.5] undecane-3-carboxylic acid tert-butyl ester
tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate;3-BOC-3,9-DIAZASPIRO[5.5]UNDECANE
YLKHACHFJMCIRE-UHFFFAOYSA-N
tert-butyl3,9-diazaspiro[5.5]undecane-3-carboxylate
SY009378
PB23426
DTXSID00938379
SB19956
AC-30837
3,9-Diaza-spiro[5.5]undecane-3-carboxylic acid tert-butyl ester
W-206055
3,9-diaza-spiro[5,5]undecane-3-carboxylic acid tert-butyl ester
TERT-BUTYL 3,9-DIAZASPIRO[5.5]UNDECANE-3-CARBOXYLATE
3-Boc-3,9-Diazaspiro[5.5]undecane
tert-Butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate, AldrichCPR
MFCD05861627
tert-butyl-3,9-diazaspiro[5.5]undecane-3-carboxylate
BCP22616
AKOS005263933
3,9-Diazaspiro[5.5]undecane-3-carboxylic acid, 1,1-dimethylethyl ester
FT-0648998
GS-3659

MDL Number

MFCD05861627

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 2-Methyl-2-propanyl 3,9-diazaspiro[5.5]undecane-3-carboxylate (CAS: 173405-78-2)?

2-Methyl-2-propanyl 3,9-diazaspiro[5.5]undecane-3-carboxylate is a crystalline compound with a molecular weight of approximately 284.4 g/mol. It has a low solubility in water but is more soluble in organic solvents such as ethanol and acetone. This compound exhibits moderate reactivity in organic reactions, particularly in esterification and amidation processes. It is stable under normal storage conditions, but care should be taken to avoid strong acids, bases, and oxidizing agents.

How is 2-Methyl-2-proanyl 3,9-diazaspiro[5.5]undecane-3-carboxylate (CAS: 173405-78-2) typically synthesized?

2-Methyl-2-proanyl 3,9-diazaspiro[5.5]undecane-3-carboxylate is typically synthesized through a multistep process involving the formation of a diazepine ring followed by carboxylation. Commonly, this involves the reaction of a suitable amine with a carboxylic acid derivative in the presence of a catalyst, such as an imidazolium salt, to achieve high selectivity and yield. The exact method can vary depending on the starting materials and desired product purity.

What industries use 2-Methyl-2-proanyl 3,9-diazaspiro[5.5]undecane-3-carboxylate (CAS: 173405-78-2)?

2-Methyl-2-proanyl 3,9-diazaspiro[5.5]undecane-3-carboxylate finds applications in the pharmaceutical industry for the synthesis of complex organic molecules, as well as in the polymer industry for the modification of polymer properties. It is also used in the production of sensors and semiconductors, where its unique chemical structure offers specific functionalities. Its versatile chemical properties make it a valuable reagent in various research and industrial settings.

What precautions should be taken when handling 2-Methyl-2-proanyl 3,9-diazaspiro[5.5]undecane-3-carboxylate (CAS: 173405-78-2)?

When handling 2-Methyl-2-proanyl 3,9-diazaspiro[5.5]undecane-3-carboxylate, it is important to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure. Spills should be cleaned up carefully using appropriate absorbent materials. Always refer to the safety data sheet (SDS) for detailed handling and storage instructions to ensure safety in the laboratory setting.