Benzyl (1-amino-3-hydroxy-1-oxo-2-butanyl)carbamate

Basic Information

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CAS Number

49705-98-8

Molecular Formula

C12H16N2O4

Molecular Weight

252.27 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

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

103 - 106 C (Decomposes)

Boiling Point

508.4 °C at 760 mmHg

Density

1.2630

Flash Point

508.4 °C at 760 mmHg

Refractive Index

1.58

SMILES

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CC(C(C(=O)N)NC(=O)OCC1=CC=CC=C1)O

InChI

InChI=1S/C12H16N2O4/c1-8(15)10(11(13)16)14-12(17)18-7-9-5-3-2-4-6-9/h2-6,8,10,15H,7H2,1H3,(H2,13,16)(H,14,17)

InChIKey

PYZXYZOBPGPOFQ-UHFFFAOYSA-N

LogP

0.14749999999999963

Topological Polar Surface Area

101.65 Å²

Hydrogen Bond Donor/Acceptor

4 / 6

Complexity

290

Synonyms & References

English

AKOS015840279
AM82257
CS-W010201
A827813
benzyl (2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-ylcarbamate
Carbobenzoxy-L-threonine amide
Z-Thr-NH
115728-96-6
PYZXYZOBPGPOFQ-SCZZXKLOSA-N
benzyl ((2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl)carbamate
AKOS015916488
Z-Thr-NH2, >=99.0% (HPLC)
Z-L-Thr-NH2
benzyl N-[(1S,2R)-1-carbamoyl-2-hydroxypropyl]carbamate
Z-L-threonine amide
3479-52-5
SCHEMBL9383939
49705-98-8
N-Benzyloxycarbonyl L-Threonine Amide
EN300-7400493
benzyloxycarbonylthreonine amide
AS-56066
MFCD00038587
I10481
Z-Thr-NH2
Benzyl (2R,3S)-(1-carbamoyl-2-hydroxypropyl)carbamate
[(2R,3S)-1-Amino-3-hydroxy-1-oxo-2-(phenylmethyl)butan-2-yl] carbamate
Cbz-L-Threoninamide
Cbz-Thr-NH2
Z-Thr-NH?
Z-L-threoninamide

MDL Number

MFCD00038587

Customs Code

2924299090

FAQ

What are the physical and chemical properties of Benzyl (1-amino-3-hydroxy-1-oxo-2-butanyl)carbamate (CAS: 49705-98-8)?

Benzyl (1-amino-3-hydroxy-1-oxo-2-butanyl)carbamate (CAS: 49705-98-8) is a colorless solid with a molecular weight of approximately 257.27 g/mol. It has a pKa of around 8.5, indicating partial basicity. The compound is soluble in water and ethanol. It is moderately reactive, particularly with nucleophiles, and can undergo esterification and amide formation reactions.

How is Benzyl (1-amino-3-hydroxy-1-oxo-2-butanyl)carbamate (CAS: 49705-98-8) typically synthesized?

Benzyl (1-amino-3-hydroxy-1-oxo-2-butanyl)carbamate is typically synthesized via the reaction of benzyl isocyanate with 3-hydroxy-1-oxobutylamine. The process involves the use of a base, such as triethylamine, and is carried out under ambient conditions. The reaction yields a mixture of diastereomers, with high selectivity and good yield.

What industries use Benzyl (1-amino-3-hydroxy-1-oxo-2-butanyl)carbamate (CAS: 49705-98-8)?

Benzyl (1-amino-3-hydroxy-1-oxo-2-butanyl)carbamate (CAS: 49705-98-8) is used in the pharmaceutical and biochemical industries for its functional groups, which can be further modified to create novel drug candidates. It also finds applications in the synthesis of chiral compounds and as a building block in organic synthesis for the development of new materials.

What precautions should be taken when handling Benzyl (1-amino-3-hydroxy-1-oxo-2-butanyl)carbamate (CAS: 49705-98-8)?

When handling Benzyl (1-amino-3-hydroxy-1-oxo-2-butanyl)carbamate (CAS: 49705-98-8), safety glasses and gloves are recommended. This compound should be stored in a fume hood to minimize inhalation risk. In case of spill, ensure proper ventilation and avoid contact with water to prevent the formation of hazardous solutions. Always refer to the Safety Data Sheet (SDS) for detailed safety information.