O-(2-Methyl-2-propanyl)threonine

Basic Information

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CAS Number

4378-13-6

Molecular Formula

C8H17NO3

Molecular Weight

175.23 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 Amines

Basic Physical Properties

Melting Point

260°C(dec.)

Boiling Point

275 ºC

Flash Point

120 ºC

Refractive Index

1.464

SMILES

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CC(C(C(=O)O)N)OC(C)(C)C

InChI

InChI=1S/C8H17NO3/c1-5(6(9)7(10)11)12-8(2,3)4/h5-6H,9H2,1-4H3,(H,10,11)/t5-,6+/m1/s1

InChIKey

NMJINEMBBQVPGY-RITPCOANSA-N

LogP

0.6019000000000001

Topological Polar Surface Area

72.55 Å²

Hydrogen Bond Donor/Acceptor

3 / 4

Complexity

162

Synonyms & References

English

Q27468061
O-(tert-Butyl)-L-threonine
(2S,3R)-2-Amino-3-(tert-butoxy)butanoic acid
O-tert.Butyl-L-threonine
L-Threonine, O-(1,1-dimethylethyl)-
(2S,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoic acid
4378-13-6
O-tert-Butyl-L-allo-threonine
(2S,3R)-2-Amino-3-(tert-butoxy)butanoicacid
MFCD00037766
DS-13503
SCHEMBL561539
O-tert-Butyl-L-threonine, >=98.0% (T)
O-tert.-Butylthreonin
Z1203159858
HY-W016731
O-tert-Butyl-L-threonine
H-Thr(tBu)-OH
O-t-Butyl-L-threonine
B3398
(2S,3R)-2-azaniumyl-3-[(2-methylpropan-2-yl)oxy]butanoate
NMJINEMBBQVPGY-RITPCOANSA-N
(2S,3R)-2-amino-3-tert-butoxybutanoic acid
AM82267
CS-W017447
AC2524
AKOS006238375
DTXSID40426240
A826423
EN300-199900
H-Thr(Tbu)-OH

MDL Number

MFCD00037766

Customs Code

2922509090

FAQ

What are the physical and chemical properties of O-(2-Methyl-2-propanyl)threonine (CAS: 4378-13-6)?

O-(2-Methyl-2-propanyl)threonine (CAS: 4378-13-6) is a white crystalline powder with a molecular weight of approximately 184.3 g/mol. It has a low water solubility and is slightly soluble in ethanol. The compound is reactive towards bases and can undergo hydrolysis under basic conditions. It is insoluble in water but soluble in organic solvents such as methanol and acetone.

How is O-(2-Methyl-2-propanyl)threonine (CAS: 4378-13-6) typically synthesized?

O-(2-Methyl-2-propanyl)threonine (CAS: 4378-13-6) can be synthesized via a multi-step process involving the condensation of threonine with 2-methyl-2-propanol in the presence of a Lewis acid catalyst such as aluminum chloride. The reaction is carried out under anhydrous conditions to ensure high yield and selectivity. Post-synthesis purification involves recrystallization from ethanol to obtain pure product.

What industries use O-(2-Methyl-2-propanyl)threonine (CAS: 4378-13-6)?

O-(2-Methyl-2-propanyl)threonine (CAS: 4378-13-6) is used in the pharmaceutical industry as a precursor for the synthesis of certain pharmaceuticals due to its structural similarity to threonine. It also finds applications in the production of polymers, where it can serve as a monomer, and in the development of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling O-(2-Methyl-2-proanyl)threonine (CAS: 4378-13-6)?

When handling O-(2-Methyl-2-proanyl)threonine (CAS: 4378-13-6), it is important to use appropriate personal protective equipment (PPE) such as gloves and safety goggles. The compound should be stored in a cool, dry place away from direct sunlight and heat sources. In case of spill, immediately clean up using proper absorbent material and dispose of waste according to local regulations. Always refer to the safety data sheet (SDS) for detailed handling and emergency procedures.