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

Basic Information

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CAS Number

62965-35-9

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

Melting Point

117.0 to 121.0 deg-C

Boiling Point

350°C at 760 mmHg

Density

1.0630

Flash Point

165.5±23.2 °C

Refractive Index

1.469

Specific Rotation

-4.2 º (c=1% in glacial 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-/m1/s1

InChIKey

LRFZIPCTFBPFLX-SSDOTTSWSA-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

(2s)-tert-butoxycarbonylamino-3,3-dimethylbutyric acid
Boc-t-Leu-OH
tert-butyloxycarbonyl-L-tert-leucine
(2S)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
n-tert-butoxycarbonyl-l-tert-leucine
EC 613-118-8
BOC-L-TLE-OH
N-(tert-Butoxycarbonyl)-L-tert-leucine; (S)-N-Boc-2-Amino-3,3-dimethylbutyric acid
N-boc-t-leucine
Boc-L-alpha-t-butylglycine
tert-butoxycarbonyl-L-tert-butylglycine
N-(tert-butoxycarbonyl)-L-tert-butylglycine
AM20100549
(S)-N-Boc-2-amino-3,3-dimethylbutyric acid
(S)-2-(tert-Butoxycarbonylamino)-3,3-dimethylbutyric Acid
J-300341
MFCD00065574
Valine, N-[(1,1-dimethylethoxy)carbonyl]-3-methyl-
AKOS010366207
N-Boc-L-tert-Leucine
N-{[(1,1-dimethylethyl)oxy]carbonyl}-3-methyl-L-valine
B3754
Boc-Tle-OH
(s)-2-(tert-butoxycarbonylamino)-3,3-dimethylbutanoic acid
Boc-L-tert-leucine
BCP22202
EN300-52856
(S)-2-((tert-butoxycarbonyl) amino)-3,3-dimethylbutanoic acid
CS-W008945
N-(tert-butoxycarbonyl)-3-methyl-L-valine
(S)-2 -[(tert-Butyloxycarbonyl)amino]-3,3-dimethylbutanoic acid

MDL Number

MFCD00065574

Customs Code

2924199090

FAQ

What is 3-Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-valine (CAS: 62965-35-9)?

3-Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-valine (CAS: 62965-35-9) is a protected amino acid derivative with the chemical formula C10H19NO4. It features a tert-butyl ester group (Boc) attached to L-valine, making it a valuable intermediate in organic synthesis. The compound is typically used in pharmaceutical and research contexts due to its stability and functional group versatility.

What are the main uses of 3-Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-valine (CAS: 62965-35-9)?

3-Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-valine (CAS: 62965-35-9) is primarily used in pharmaceutical research for drug development, as a building block in peptide synthesis, and in chemical manufacturing. Its unique structure also makes it applicable in biochemical studies and as an intermediate for creating complex molecules in industrial and academic settings.

Is 3-Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-valine (CAS: 62965-35-9) safe?

3-Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-valine (CAS: 62965-35-9) is generally considered safe when handled properly. However, it should be treated with standard chemical safety precautions, including avoiding inhalation, skin contact, and ingestion. Protective measures like gloves, goggles, and a well-ventilated workspace are recommended. Always consult safety data sheets (SDS) for specific guidelines.

How should 3-Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-valine (CAS: 62965-35-9) be stored?

3-Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-valine (CAS: 62965-35-9) should be stored in a cool, dry place (≤25°C), away from light and moisture. Use airtight containers to prevent exposure to humidity and ensure stability. Avoid extreme temperatures and store in a secure area to maintain its chemical integrity and prolong shelf life.