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Home > Encyclopedia > (4-Bromophenyl)-tert-butoxycarbonylaminoacetic acid methyl ester

(4-Bromophenyl)-tert-butoxycarbonylaminoacetic acid methyl ester

(4-Bromophenyl)-tert-butoxycarbonylaminoacetic acid methyl ester structure

(4-Bromophenyl)-tert-butoxycarbonylaminoacetic acid methyl ester 

structure
  • CAS No:

    709665-73-6

  • Formula:

    C14H18BrNO4

  • Chemical Name:

    (4-Bromophenyl)-tert-butoxycarbonylaminoacetic acid methyl ester

  • Synonyms:

    (4-BROMO-PHENYL)-TERT-BUTOXYCARBONYLAMINO-ACETIC ACID METHYL ESTER;Methyl 2-(4-broMophenyl)-2-{[(tert-butoxy)carbonyl]aMino}acetate;Methyl 2-((4-broMophenyl)(tert-butoxycarbonyl)aMino)acetate;Methyl 2-(Boc-amino)-2-(4-bromophenyl)acetate

(4-Bromophenyl)-tert-butoxycarbonylaminoacetic acid methyl ester Basic Attributes

344.2

343.04200

2924299090

Characteristics

64.6

429.9°C at 760 mmHg

(4-Bromophenyl)-tert-butoxycarbonylaminoacetic acid methyl ester Use and Manufacturing

Intermediate 1: tert-butoxycarbonylamino-[4-(pyridin-4-ylcarbamoyl)-phenyl]-acetic acid.; Amιno-(4-bromo-phenyl)-acetιc acid (3 g) was suspended in a mixture of concentrated HCI (10 ml) and MeOH (10 ml) The reaction mixture was stirred at room temperature (RT) for 2 days The white precipitate was filtered off and dried Amιno-(4-bromo-phenyl)-acetic acid methyl ester was obtained as a white powder (49 percent yield) Amιno-(4-bromo-phenyl)-acetιc acid methyl ester (1 8 g) was suspended in acetone (15 ml) 1 M NaGeneral procedure: The amino acid (1.0 mmol, 1.0 eq) was dispersed in MeOH (1.0 mL per 0.21 mmol of amino acid) with concd H

Computed Properties

Molecular Weight:344.20
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:343.04192
Monoisotopic Mass:343.04192
Topological Polar Surface Area:64.6
Heavy Atom Count:20
Complexity:346
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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