N-Benzoylvaline

Basic Information

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CAS Number

2901-80-6

Molecular Formula

C12H15NO3

Molecular Weight

221.26 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Powder

Melting Point

131.0 to 133.0 deg-C

Boiling Point

451.8°Cat760mmHg

Density

1.157

Flash Point

227°C

Refractive Index

1.538

SMILES

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

InChI

InChI=1S/C12H15NO3/c1-8(2)10(12(15)16)13-11(14)9-6-4-3-5-7-9/h3-8,10H,1-2H3,(H,13,14)(H,15,16)

InChIKey

MIYQNOPLWKCHED-UHFFFAOYSA-N

LogP

1.5256

Topological Polar Surface Area

66.4 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

257

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

2-benzamido-3-methylbutanoic acid
N-Benzoylvaline
MIYQNOPLWKCHED-UHFFFAOYSA-
SR-01000196129
SCHEMBL1168551
DTXSID40280541
FT-0683275
NSC32037
FT-0635811
5699-79-6
CHEMBL1207037
InChI=1/C12H15NO3/c1-8(2)10(12(15)16)13-11(14)9-6-4-3-5-7-9/h3-8,10H,1-2H3,(H,13,14)(H,15,16)
NSC334211
N-Benzoyl-dl-valine
Oprea1_714359
Benzoyl-dl-valine
SR-01000196129-1
MFCD00038283
3J-309S
AKOS000265932
AKOS016050412
Oprea1_556734
N-Benzoylvaline #
HY-W048283
NSC-32037
D76082
Bz-Val-OH
HMS1577M12
AKOS037748798
2-(benzoylamino)-3-methylbutanoic acid
CBDivE_002999

MDL Number

MFCD00038283

Customs Code

2924299090

FAQ

What are the physical and chemical properties of N-Benzoylvaline (CAS: 2901-80-6)?

N-Benzoylvaline (CAS: 2901-80-6) is a white crystalline powder with a molecular weight of approximately 259.24 g/mol. It is slightly soluble in water and ethanol. Chemically, it is relatively stable but can undergo hydrolysis in acidic conditions. This compound exhibits limited reactivity under normal laboratory conditions.

How is N-Benzoylvaline (CAS: 2901-80-6) typically synthesized?

N-Benzoylvaline (CAS: 2901-80-6) is typically synthesized by the condensation reaction of benzoyl chloride with valine in the presence of a catalyst such as pyridine or triethylamine. The reaction yields a high purity product with good selectivity and yield.

What industries use N-Benzoylvaline (CAS: 2901-80-6)?

N-Benzoylvaline (CAS: 2901-80-6) is primarily used in the pharmaceutical industry for the synthesis of certain peptides and as an intermediate in the production of other organic compounds. It also finds applications in the polymer industry as a monomer for the synthesis of special polymers.

What precautions should be taken when handling N-Benzoylvaline (CAS: 2901-80-6)?

When handling N-Benzoylvaline (CAS: 2901-80-6), it is important to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a fume hood to avoid inhalation of dust. Spills should be handled with absorbent materials and disposed of according to safety data sheet (SDS) guidelines. Ensure proper ventilation and store in a cool, dry place away from direct sunlight.