(3-Hydroxyadamantan-1-yl)(oxo)acetic acid

Basic Information

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CAS Number

709031-28-7

Molecular Formula

C12H16O4

Molecular Weight

224.26 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

164-165ºC

Boiling Point

366.525°C at 760 mmHg

Density

1.477

SMILES

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C1C2CC3(CC1CC(C2)(C3)O)C(=O)C(=O)O

InChI

InChI=1S/C12H16O4/c13-9(10(14)15)11-2-7-1-8(3-11)5-12(16,4-7)6-11/h7-8,16H,1-6H2,(H,14,15)

InChIKey

UDKIRRNUAXWHTO-UHFFFAOYSA-N

LogP

0.9714

Topological Polar Surface Area

74.6 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

359

Synonyms & References

English

(3-Hydroxytricyclo[3.3.1.1~3,7~]decan-1-yl)(oxo)acetic acid
2-(3-HYDROXY-1-ADAMANTYL)-2-OXOACETIC ACID
SCHEMBL159741
DTXSID10440377
709031-28-7
2-(3-Hydroxyadamantan-1-yl)-2-oxoacetic acid
3-Hydroxy-alpha-oxotricyclo[3.3.1.13,7]decane-1-acetic acid
AC-26401
2-(3-hydroxy-1-adamantyl)-2-oxo-acetic Acid
3-hydroxy- alpha-oxoadamantane-1-acetic acid
SCHEMBL17636412
AKOS016010210
3-Hydroxy-alpha-oxotricyclo-[3.3.1.13,7]decane-1-acetic acid
FT-0748105
A851730
SCHEMBL14455208
3-hydroxyadamantaneglyoxylic acid
CS-0342990
UDKIRRNUAXWHTO-UHFFFAOYSA-N
(3-hydroxy-adamantan-1-yl)-oxo-acetic acid
3-hydroxy-alpha-oxotricyclo[3.3.1.13,7]-decane-1-acetic acid
2-(3-Hydroxy-1-adamantyl)-2-oxoacetic acid
3-HYDROXY- Α-OXOADAMANTANE-1-ACETIC ACID
hydroxy-α-oxoadamantane-1-acetic acid

MDL Number

MFCD13185913

Customs Code

2918990090

FAQ

What are the physical and chemical properties of (3-Hydroxyadamantan-1-yl)(oxo)acetic acid (CAS: 709031-28-7)?

(3-Hydroxyadamantan-1-yl)(oxo)acetic acid (CAS: 709031-28-7) is a crystalline compound with a molecular weight of approximately 236.32 g/mol. It is slightly soluble in water and has a pKa of about 1.8. The compound is prone to hydrolysis and exhibits weak acidity. It is reactive towards nucleophiles and can undergo esterification and amide formation reactions.

How is (3-Hydroxyadamantan-1-yl)(oxo)acetic acid (CAS: 709031-28-7) typically synthesized?

(3-Hydroxyadamantan-1-yl)(oxo)acetic acid (CAS: 709031-28-7) can be synthesized through the condensation of 3-hydroxyadamantan-1-one with acetic anhydride. The reaction is carried out in the presence of a catalyst like p-toluenesulfonic acid (p-TsOH) to improve yield and selectivity. The product is then isolated by recrystallization from an appropriate solvent.

What industries use (3-Hydroxyadamantan-1-yl)(oxo)acetic acid (CAS: 709031-28-7)?

(3-Hydroxyadamantan-1-yl)(oxo)acetic acid (CAS: 709031-28-7) is used in the pharmaceutical industry for the synthesis of certain drug molecules. It also finds applications in the polymer industry as a monomer. Additionally, it can be utilized in the development of sensors for detecting specific chemical compounds. The compound's unique structure makes it valuable in various scientific research applications.

What precautions should be taken when handling (3-Hydroxyadamantan-1-yl)(oxo)acetic acid (CAS: 709031-28-7)?

When handling (3-Hydroxyadamantan-1-yl)(oxo)acetic acid (CAS: 709031-28-7), appropriate personal protective equipment (PPE) should be worn, including gloves, goggles, and a lab coat. The material should be handled in a fume hood to minimize exposure to vapors. In the event of a spill, it should be cleaned up with care, ensuring that the spill area is well-ventilated. Always refer to a Material Safety Data Sheet (MSDS) for specific handling guidelines and emergency procedures.