3-Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-valine

Basic Information

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CAS Number

124655-17-0

Molecular Formula

C11H21NO4

Molecular Weight

231.29 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

White to Yellow Solid

Melting Point

117.0 to 122.0 deg-C

Specific Rotation

+4.2° (c=1, acetic acid)

SMILES

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

InChI

InChI=1S/C11H21NO4/c1-10(2,3)7(8(13)14)12-9(15)16-11(4,5)6/h7H,1-6H3,(H,12,15)(H,13,14)/t7-/m0/s1

InChIKey

LRFZIPCTFBPFLX-ZETCQYMHSA-N

LogP

2.0103999999999997

Topological Polar Surface Area

75.63 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

273

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

EN300-127899
(R)-2-((tert-Butoxycarbonyl)amino)-3,3-dimethylbutanoic acid
Boc-D-alpha-t-butylglycine, AldrichCPR
(r)-n-(tert-butoxycarbonyl)-tert-leucine
(R)-N-Boc-2-amino-3,3-dimethylbutyric acid
GS-6444
SCHEMBL83699
boc-d-tle-oh
(2R)-2-(tert-butoxycarbonylamino)-3,3-dimethyl-butanoic acid;N-Boc-D-tert-leucine
HY-I0377
124655-17-0
DTXSID40426487
boc-d-tert-leucine
(2R)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
N-(tert-Butoxycarbonyl)-D-tert-leucine
LRFZIPCTFBPFLX-ZETCQYMHSA-N
Q-102760
(R)-2-(Boc-amino)-3,3-dimethylbutyric Acid
(2R)-2-{[(tert-butoxy)carbonyl]amino}-3,3-dimethylbutanoic acid
N-Boc-D-tert-butylglycine
N-Boc-D-tert-leucine
D-Valine, N-[(1,1-dimethylethoxy)carbonyl]-3-methyl-
(R)-2-(tert-butoxycarbonylamino)-3,3-dimethylbutanoic acid
AM808134
MFCD00065575
(R)-2-TERT-BUTOXYCARBONYLAMINO-3,3-DIMETHYL-BUTYRIC ACID
BOC-D-ALPHA-T-BUTYLGLYCINE
A805271
N-(tert-butoxycarbonyl)-3-methyl-D-valine
N-ALPHA-T-BUTYLOXYCARBONYL-D-T-LEUCINE
(R)-2-(tert-Butoxycarbonylamino)-3,3-dimethylbutyric Acid

MDL Number

MFCD00065575

FAQ

What are the physical and chemical properties of 3-Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-valine (CAS: 124655-17-0)?

3-Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-valine is a crystalline compound with a molecular weight of approximately 236.34 g/mol. It has a high solubility in organic solvents such as methanol and acetonitrile. The compound is susceptible to hydrolysis under basic conditions and is resistant to acid catalysis. It is also stable under normal temperature and pressure conditions.

How is 3-Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-valine (CAS: 124655-17-0) typically synthesized?

3-Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-valine is typically synthesized via a condensation reaction between 3-methyl-2-propanol and D-valine in the presence of a catalyst such as 1-ethyl-3-(3-dimethylaminopropyl)carbodiimide (EDC). The reaction proceeds with high selectivity and yields around 90%, making it a viable method for industrial production.

What industries use 3-Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-valine (CAS: 124655-17-0)?

3-Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-valine is primarily used in the pharmaceutical industry for the synthesis of various drug molecules. It is also utilized in the polymer industry for the development of new materials with specific functional properties. Additionally, it has applications in the production of sensors and semiconductors due to its unique chemical structure.

What precautions should be taken when handling 3-Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-valine (CAS: 124655-17-0)?

When handling 3-Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-valine, it is essential to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. The compound should be stored in a cool, dry place away from direct sunlight. In case of accidental spillage, use appropriate spill kits and refer to the Safety Data Sheet (SDS) for further instructions. Ensure proper ventilation in the laboratory and use a fume hood when performing synthesis or handling the compound.