2-Methyl-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid

Basic Information

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CAS Number

16948-10-0

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

Physical State

White to Yellow Solid

Melting Point

89-90 ºC (ethyl ether pentane )

SMILES

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CC(CNC(=O)OC(C)(C)C)C(=O)O

InChI

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

InChIKey

GDQRNRYMFXDGMS-UHFFFAOYSA-N

LogP

1.2318

Topological Polar Surface Area

75.63 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

219

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

n-boc-alpha-(r,s)-methyl-beta-alanine
CS-W021749
(+/-)-2-Methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
SCHEMBL288557
MFCD02094137
3-[(tert-butoxycarbonyl)amino]-2-methylpropanoic acid
3-((tert-Butoxycarbonyl)amino)-2-methylpropanoic acid
MFCD04040053
BP-13381
AB17479
3-((tert-Butoxycarbonyl)amino)-2-methylpropanoicacid
(S)-N-Boc-3-amino-2-methylpropionic Acid
16948-10-0
DS-15269
boc-dL-beta-aib-OH
3-tert-Butoxycarbonylamino-2-methyl-propionic acid
DTXSID70400614
SY032115
SY101744
N-Methyl CL-Serine
SY032116
AKOS011971375
N-(t-butoxycarbonyl)-2-methyl-beta-alanine
FT-0689752
DL-3-((tert-Butoxycarbonyl)amino)-2-methylpropanoic acid
Boc-R-3-Aminoisobutyricacid
AB17477
BCP33388
3-(Tert-butoxycarbonylamino)-2-methylpropionic acid
FT-0694669
EN300-64773

MDL Number

MFCD02094137

Customs Code

2924199090

FAQ

What are the physical and chemical properties of 2-Methyl-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid (CAS: 16948-10-0)?

2-Methyl-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid is a white crystalline solid with a molecular weight of approximately 245.34 g/mol. It is poorly soluble in water but soluble in common organic solvents. This compound exhibits moderate reactivity, particularly towards nucleophilic substitution and esterification reactions. It has a pKa of about 4.2, indicating acidity in aqueous solutions.

How is 2-Methyl-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid (CAS: 16948-10-0) typically synthesized?

2-Methyl-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid is typically synthesized via a multi-step process involving the reaction of 2-methyl-2-propanol with phosgene followed by the amidation of the resulting intermediate with an appropriate amine. The reaction is carried out under anhydrous conditions to ensure high yield and selectivity. Common solvents include dichloromethane or acetonitrile.

What industries use 2-Methyl-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid (CAS: 16948-10-0)?

2-Methyl-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid is primarily used in the pharmaceutical industry for the synthesis of various biologically active compounds. It is also utilized in the polymer industry as a monomer. Additionally, it has applications in the production of sensors and semiconductors.

What precautions should be taken when handling 2-Methyl-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid (CAS: 16948-10-0)?

When handling 2-Methyl-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid, it is crucial to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. This compound should be handled in a well-ventilated area or a fume hood to avoid inhalation. Spills should be cleaned up using appropriate absorbent material, and proper disposal methods should be followed. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.