(3S)-3-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)butanoic acid

Basic Information

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CAS Number

158851-30-0

Molecular Formula

C9H17NO4

Molecular Weight

203.24 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

Melting Point

73-78°C

Boiling Point

339.5°Cat760mmHg

Density

1.1010

Water Solubility

Slightly soluble in water.

Flash Point

159.1°C

Refractive Index

1.46

Specific Rotation

-18° (c=1, CHCl3)

SMILES

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

InChI

InChI=1S/C9H17NO4/c1-6(5-7(11)12)10-8(13)14-9(2,3)4/h6H,5H2,1-4H3,(H,10,13)(H,11,12)/t6-/m0/s1

InChIKey

PYNDHEONPQYIAN-LURJTMIESA-N

LogP

1.3742999999999996

Topological Polar Surface Area

75.63000000000001 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

219

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

Boc-L-
Boc-Ala-(C#CH2)OH
AKOS015908744
Boc-beta-Homoala-OH
A-HoAla-OH
PYNDHEONPQYIAN-LURJTMIESA-N
boc-ss-Homoalanine
CHEMBL1222400
158851-30-0
Boc-beta-Homoala-OH, >=98.0% (TLC)
J-009664
(S)-N-Boc-3-aminobutyric acid
Boc-L-I(2)-homoalanine
DTXSID70420711
(3S)-3-(tert-butoxycarbonylamino)butanoic acid;(S)-N-Boc-3-aminobutyric acid
(s)-3-(n-boc-amino)butyric acid
Boc-l-b-homoalanine
(S)-3-(Boc-amino)butyric acid
AS-17622
(3S)-3-{[(tert-butoxy)carbonyl]amino}butanoic acid
AM84522
Butanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-, (3S)-
(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
EN300-140698
(S)-3-(tert-Butoxycarbonylamino)butanoic acid
Boc-L-beta-homoalanine
Boc-L-beta-HAla-OH
A-homoalanine
CS-W015456
MFCD00270345
(S)-3-((tert-Butoxycarbonyl)amino)butanoic acid

MDL Number

MFCD00270345

Customs Code

2924199090

FAQ

What is (3S)-3-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)butanoic acid (CAS: 158851-30-0)?

(3S)-3-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)butanoic acid is an organic compound with the CAS number 158851-30-0. It has a molecular formula of C8H17NO3 and is a chiral molecule with a specific configuration at the 3-position. This compound is used in pharmaceutical research and as a chemical intermediate.

What are the main uses of (3S)-3-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)butanoic acid (CAS: 158851-30-0)?

(3S)-3-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)butanoic acid (CAS: 158851-30-0) is primarily used as a precursor in the synthesis of pharmaceutical compounds and as a chemical intermediate in organic synthesis. It plays a role in the development of new drugs and in the production of certain pharmaceuticals.

Is (3S)-3-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)butanoic acid (CAS: 158851-30-0) safe?

(3S)-3-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)butanoic acid (CAS: 158851-30-0) is considered safe under normal conditions of use, but it is important to follow safety guidelines and use appropriate personal protective equipment (PPE) when handling the compound. Proper storage and handling are crucial to minimize any potential risks.

How should (3S)-3-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)butanoic acid (CAS: 158851-30-0) be stored?

(3S)-3-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)butanoic acid (CAS: 158851-30-0) should be stored in a cool, dry place, away from direct sunlight and heat sources. It should be kept in a tightly sealed container to protect it from moisture and contamination. Proper storage conditions are essential to maintain the stability and integrity of the compound.