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Home > Encyclopedia > BENZOYL-DL-VALINE

BENZOYL-DL-VALINE

BENZOYL-DL-VALINE structure

BENZOYL-DL-VALINE 

structure
  • CAS No:

    2901-80-6

  • Formula:

    C12H15NO3

  • Chemical Name:

    BENZOYL-DL-VALINE

  • Synonyms:

    Benzoylvaline;N-Benzoylvaline;N-BENZOYL-DL-VAL;BENZOYL-DL-VALINE;valine,N-benzoyl-;IFLAB-BBF1924-0012;N-BENZOYL-DL-VALINE;N-BenzoylvalineBenzoylvaline;rac-(R*)-N-Benzoyl-2-isopropylglycine;2-(BENZOYLAMINO)-3-METHYLBUTANOICACID

  • Categories:

    Biochemical Engineering  >  Amino Acids and Derivatives

BENZOYL-DL-VALINE Basic Attributes

221.25

221.10500

334211|32037

DTXSID40280541

2924299090

Characteristics

66.4

2.2

1.157g/cm3

132°C

451.8°C at 760 mmHg

227ºC

1.538

5.98E-09mmHg at 25°C

Safety Information

IRRITANT

3

22

22-24/25

Xn

P264, P270, P301+P312, P330, P501

H302

BENZOYL-DL-VALINE Use and Manufacturing

Step A: A solution of 2-amino-3-methylbutanoic acid (500 mg, 4.27 mmol) in 2N NaOH (2.35 ml, 4.69 mmol) was stirred at RT for 30 minutes, then the reaction mixture was cooled at 0°C and benzoyl chloride (471 μ, 4.05 mmol) and 2N NaOH (2.35 ml, 4.69 mmol) were simultaneously added dropwise from two different syringes. The reaction was stirred at RT for 3h. Water was added, the aqueous phase was washed with EtA solution of 2-amino-3-methylbutanoic acid (500 mg, 4.27 mmol) in 2N NaOH (2.35 ml, 4.69 mmol) was stirred at RT for 30 minutes, then the reaction mixture was cooled at 0° C., and benzoyl chloride (471 μl, 4.05 mmol) and 2N NaOH (2.35 ml, 4.69 mmol) were simultaneously added dropwise from two different syringes. The reaction was stirred at RT for 3 hours. Water was added, the aqueous phase was washed with Et

Computed Properties

Molecular Weight:221.25
XLogP3:2.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:221.10519334
Monoisotopic Mass:221.10519334
Topological Polar Surface Area:66.4
Heavy Atom Count:16
Complexity:257
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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