(S)-2-(tert-Butoxycarbonylamino)-2-(tetrahydro-2H-pyran-4-yl)acetic acid

Basic Information

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CAS Number

711017-85-5

Molecular Formula

C12H21NO5

Molecular Weight

259.3 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 Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Pale-yellow to Yellow-brown Solid

Boiling Point

423.5±20.0°C at 760 mmHg

SMILES

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CC(C)(C)OC(=O)NC(C1CCOCC1)C(=O)O

InChI

InChI=1S/C12H21NO5/c1-12(2,3)18-11(16)13-9(10(14)15)8-4-6-17-7-5-8/h8-9H,4-7H2,1-3H3,(H,13,16)(H,14,15)/t9-/m0/s1

InChIKey

MAJWUTNRLZHCBX-VIFPVBQESA-N

LogP

1.3908999999999996

Topological Polar Surface Area

84.86 Å²

Hydrogen Bond Donor/Acceptor

2 / 6

Complexity

304

Safety Information

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Hazard Statement

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

(S)-2-(tert-Butoxycarbonylamino)-2-(tetrahydro-2H-pyran-4-yl)acetic acid
AC-30975
MAJWUTNRLZHCBX-VIFPVBQESA-N
SCHEMBL1691482
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxan-4-yl)acetic acid
DTXSID80649517
N-BOC-L-4'-TETRAHYDROPYRANYLGLYCINE
(2S)-[(tert-Butoxycarbonyl)amino](oxan-4-yl)acetic acid
(S)-N-Boc-2-(tetrahydro-pyran-4-yl)-glycine
CS-D0015
(S)-2-((tert-butoxycarbonyl)amino)-2-(tetrahydro-2H-pyran-4-yl)aceticacid
Boc-(2S)-Gly-4-pyranoyl
711017-85-5
A848452
AKOS016007661
(2S)-2-{[(tert-butoxy)carbonyl]amino}-2-(oxan-4-yl)acetic acid
DS-14850
MFCD08272907
(S)-2-(tert-butoxycarbonylamino)-2-(tetrahydro-
(S)-2-((tert-Butoxycarbonyl)amino)-2-(tetrahydro-2H-pyran-4-yl)acetic acid
(S)-2-(tert-butoxycarbonylamino)-2-(tetrahydro-2 h-pyran-4-yl)acetic acid
(2S)-2-(tert-butoxycarbonylamino)-2-tetrahydropyran-4-yl-acetic acid

MDL Number

MFCD08272907

FAQ

What are the physical and chemical properties of (S)-2-(tert-Butoxycarbonylamino)-2-(tetrahydro-2H-pyran-4-yl)acetic acid (CAS: 711017-85-5)?

(S)-2-(tert-Butoxycarbonylamino)-2-(tetrahydro-2H-pyran-4-yl)acetic acid is a white or off-white crystalline solid. Its molecular weight is approximately 316.43 g/mol. It is sparingly soluble in water but soluble in common organic solvents like methanol and ethanol. This compound is known for its stability and is used in various chemical reactions due to its reactivity. It is a chiral molecule which can be used in pharmaceutical and chemical synthesis applications.

How is (S)-2-(tert-Butoxycarbonylamino)-2-(tetrahydro-2H-pyran-4-yl)acetic acid (CAS: 711017-85-5) typically synthesized?

(S)-2-(tert-Butoxycarbonylamino)-2-(tetrahydro-2H-pyran-4-yl)acetic acid is typically synthesized via the condensation of tert-butoxycarbonyl amino acid with tetrahydro-2H-pyran-4-yl acetic acid. The reaction is catalyzed by a suitable base, such as triethylamine, and proceeds with high selectivity. The product can be isolated by filtration and purified by recrystallization or column chromatography. The yield is typically around 70-80%. This synthesis method ensures a high-quality product suitable for further chemical transformations.

What industries use (S)-2-(tert-Butoxycarbonylamino)-2-(tetrahydro-2H-pyran-4-yl)acetic acid (CAS: 711017-85-5)?

(S)-2-(tert-Butoxycarbonylamino)-2-(tetrahydro-2H-pyran-4-yl)acetic acid finds applications in the pharmaceutical industry as a precursor for the synthesis of various medicinal compounds. It is also used in polymer chemistry for developing novel materials with specific properties. Additionally, this compound can be utilized in the production of sensors and semiconductors, contributing to advancements in technology and electronics.

What precautions should be taken when handling (S)-2-(tert-Butoxycarbonylamino)-2-(tetrahydro-2H-pyran-4-yl)acetic acid (CAS: 711017-85-5)?

When handling (S)-2-(tert-Butoxycarbonylamino)-2-(tetrahydro-2H-pyran-4-yl)acetic acid, it is essential to wear appropriate personal protective equipment (PPE), including gloves and safety glasses. This compound should be stored in a cool, dry place to maintain its stability. It is recommended to use a fume hood during handling to minimize exposure to potential irritants. In case of a spill, neutralize the area with an appropriate solvent and clean up carefully. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.