Tert-butyl 9-hydroxy-3-azaspiro[5.5]undecane-3-carboxylate

Basic Information

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CAS Number

918644-73-2

Molecular Formula

C15H27NO3

Molecular Weight

269.38 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

SMILES

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CC(C)(C)OC(=O)N1CCC2(CCC(CC2)O)CC1

InChI

InChI=1S/C15H27NO3/c1-14(2,3)19-13(18)16-10-8-15(9-11-16)6-4-12(17)5-7-15/h12,17H,4-11H2,1-3H3

InChIKey

NAFAKXTXWZJGHD-UHFFFAOYSA-N

LogP

2.938600000000001

Topological Polar Surface Area

49.769999999999996 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

317

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

3-Azaspiro[5.5]undecane-3-carboxylic acid, 9-hydroxy-,1,1-dimethylethyl ester
9-HYDROXY-3-AZASPIRO[5.5]UNDECAN-3-CARBOXYLIC ACID TERT-BUTYL ESTER
9-Hydroxy-3-aza-spiro[5.5]undecane-3-carboxylic acid tert-butyl ester
tert-Butyl 9-hydroxy-3-azaspiro[5.5]undecan-3-carboxylate
tert-butyl 9-hydroxy-3-azaspiro[5.5]undecane-3-carboxylate
1,1-Dimethylethyl 9-hydroxy-3-azaspiro[5.5]undecane-3-carboxylate (ACI)
9-Hydroxy-3-azaspiro[5.5]undecane-3-carboxylic acid tert-butyl ester
EN300-223369
MFCD12755293
DB-299259
AKOS016344465
3-BOC-9-HYDROXY-3-AZASPIRO[5.5]UNDECANE
9-hydroxy-3-aza-spiro[5.5]undecane-3-carboxylic acid tert-butyl ester
DTXSID70735599
tert-butyl9-hydroxy-3-azaspiro[5.5]undecane-3-carboxylate
CS-0171763
918644-73-2
SY022806
F2147-8672
3-Azaspiro[5.5]undecane-3-carboxylic acid, 9-hydroxy-, 1,1-dimethylethyl ester
NAFAKXTXWZJGHD-UHFFFAOYSA-N
tert-Butyl 9-hydroxy-3-azaspiro [5.5]undecane-3-carboxylate
SB13783
AS-36053
SCHEMBL485056

MDL Number

MFCD12755293

FAQ

What are the physical and chemical properties of Tert-butyl 9-hydroxy-3-azaspiro[5.5]undecane-3-carboxylate (CAS: 918644-73-2)?

Tert-butyl 9-hydroxy-3-azaspiro[5.5]undecane-3-carboxylate is a white crystalline solid with a molecular weight of approximately 273.38 g/mol. It is slightly soluble in water and more soluble in organic solvents. The compound is reactive towards nucleophiles and can undergo ester hydrolysis under basic conditions. It is stable under normal conditions but should be stored away from moisture and heat.

How is Tert-butyl 9-hydroxy-3-azaspiro[5.5]undecane-3-carboxylate (CAS: 918644-73-2) typically synthesized?

Tert-butyl 9-hydroxy-3-azaspiro[5.5]undecane-3-carboxylate can be synthesized via a multi-step process involving the protection of a carboxylic acid with tert-butyl chloride, followed by the introduction of the azaspiro structure via a ring-closing reaction. The synthesis involves the use of catalytic amounts of a Lewis acid and proceeds with good regioselectivity and yield.

What industries use Tert-butyl 9-hydroxy-3-azaspiro[5.5]undecane-3-carboxylate (CAS: 918644-73-2)?

Tert-butyl 9-hydroxy-3-azaspiro[5.5]undecane-3-carboxylate finds applications in the pharmaceutical industry as an intermediate in the synthesis of certain drugs. It is also used in the polymer industry for the modification of polymer properties and in the sensor industry for its potential use in detection systems.

What precautions should be taken when handling Tert-butyl 9-hydroxy-3-azaspiro[5.5]undecane-3-carboxylate (CAS: 918644-73-2)?

When handling Tert-butyl 9-hydroxy-3-azaspiro[5.5]undecane-3-carboxylate, it is important to use appropriate personal protective equipment (PPE), including gloves and safety goggles. It should be stored in a cool, dry place away from direct sunlight. In case of spills, they should be handled carefully using appropriate procedures and materials, and a Material Safety Data Sheet (MSDS) should be consulted for detailed instructions.