2-Methyl-2-propanyl (1R,5S,6r)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate

Basic Information

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CAS Number

419572-18-2

Molecular Formula

C11H19NO3

Molecular Weight

213.28 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

Boiling Point

308 ºC

Flash Point

140 ºC

SMILES

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CC(C)(C)OC(=O)N1C[C@H]2[C@H](CO)[C@H]2C1

InChI

InChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-4-7-8(5-12)9(7)6-13/h7-9,13H,4-6H2,1-3H3/t7-,8+,9+

InChIKey

JVIDPFGQYMFQDZ-BRPSZJMVSA-N

LogP

1.0916

Topological Polar Surface Area

49.769999999999996 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

260

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

exo-3-Boc-3-azabicyclo[3.1.0]hexane-6-methanol
tert-Butyl (1R,5S,6R)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
(1R,5S,6r)-tert-Butyl 6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
(1S,5R,6R)-6-hydroxymethyl-3-azabicyclo[3.1.0]hexane-3-carboxylic acid tert-butyl ester
(1S,5R,6R)-tert-butyl 6-(hydroxymethyl)-3-aza-bicycio[3.1.0]hexane-3-carboxylate
2-benzyl-6-oxa-2-azabicyclo[3.2.1]octan-7-one
6-hydroxymethyl-3-aza-bicyclo[3.1.0]hexane-3-carboxylic acid tert-butyl ester
AG-A-37281
ANW-55155
CTK7H7247
SureCN1875616
ENDO-3-BOC-3-AZABICYCLO[3.1.0]HEXANE-6-METHANOL
tert-Butyl (1S,5R)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
AK144309
JVIDPFGQYMFQDZ-JVHMLUBASA-N
tert-butyl rel-(1R,5S,6r)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate

MDL Number

MFCD14525755

FAQ

What are the physical and chemical properties of 2-Methyl-2-propanyl (1R,5S,6r)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate (CAS: 419572-18-2)?

2-Methyl-2-propanyl (1R,5S,6r)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate is a crystalline compound with a molecular weight of approximately 238.32 g/mol. It has a low solubility in water but is soluble in organic solvents like methanol and ethanol. This compound exhibits reactivity typical of esters and azabicycles, making it susceptible to hydrolysis under basic conditions and prone to nucleophilic substitution reactions.

How is 2-Methyl-2-propanyl (1R,5S,6r)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate (CAS: 419572-18-2) typically synthesized?

2-Methyl-2-propanyl (1R,5S,6r)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate is synthesized through a multi-step process involving the condensation of a specific aldehyde with an amine, followed by an intramolecular cyclization reaction. The synthesis typically requires the use of a Lewis acid catalyst and involves high selectivity and moderate yield.

What industries use 2-Methyl-2-propanyl (1R,5S,6r)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate (CAS: 419572-18-2)?

2-Methyl-2-propanyl (1R,5S,6r)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate is primarily used in pharmaceuticals for its potential in drug discovery and development. It also finds applications in the synthesis of certain polymers and in sensor technology for its chemical reactivity.

What precautions should be taken when handling 2-Methyl-2-propanyl (1R,5S,6r)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate (CAS: 419572-18-2)?

When handling 2-Methyl-2-propanyl (1R,5S,6r)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. This compound should be used in a well-ventilated area, preferably a fume hood, to minimize inhalation risk. Spills should be cleaned up with caution, using appropriate absorbents, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions.