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ChemicalBook--->CAS DataBase List--->13033-84-6

13033-84-6

13033-84-6 Structure

13033-84-6 Structure
IdentificationMore
[Name]

D-Phenylalanine methyl ester hydrochloride
[CAS]

13033-84-6
[Synonyms]

D-PHENYLALANINE ETHYL ESTER HCL
D-PHENYLALANINE METHYL ESTER HCL
D-PHENYLALANINE METHYL ESTER HYDROCHLORIDE
D-PHENYLALANINE METHYL ESTER HYDROCHLORIDE SALT
D-PHENYLALANINE-OME HCL
H-D-PHE-OME HCL
METHYL D-PHENYLALANINATE HYDROCHLORIDE
R-Phenyl Alanine methyl ester HCL
D-DhenylalaninemethylesterHCl
D-Dhenylalaninemethylesterhydrochloride
D-Phenylalanine methyl ester hydrochlorid
(R)-Phenylalanine Methyl Ester Hydrochloride
Methyl (R)-Phenylalaninate Hydrochloride
L-PHENYLALANINE METHYL ESTER HYDROCHLORIDE extrapure
[EINECS(EC#)]

603-406-1
[Molecular Formula]

C10H14ClNO2
[MDL Number]

MFCD00066112
[Molecular Weight]

215.68
[MOL File]

13033-84-6.mol
Chemical PropertiesBack Directory
[Appearance]

White Solid
[Melting point ]

159-163 °C(lit.)
[refractive index ]

-37.0 ° (C=2, EtOH)
[storage temp. ]

2-8°C
[solubility ]

Soluble in Ethanol and Methanol.
[form ]

Powder or Crystalline Powder
[color ]

White to off-white
[InChI]

InChI=1/C10H13NO2.ClH/c1-13-10(12)9(11)7-8-5-3-2-4-6-8;/h2-6,9H,7,11H2,1H3;1H/t9-;/s3
[InChIKey]

SWVMLNPDTIFDDY-SBSPUUFOSA-N
[SMILES]

C1(C=CC=CC=1)C[C@@H](N)C(=O)OC.Cl |&1:7,r|
[CAS DataBase Reference]

13033-84-6(CAS DataBase Reference)
Safety DataBack Directory
[WGK Germany ]

3
[HS Code ]

29224999
Hazard InformationBack Directory
[Chemical Properties]

White Solid
[Uses]

D-Phenylalanine Methyl Ester Hydrochloride (cas# 13033-84-6) is a compound useful in organic synthesis.
[reaction suitability]

reaction type: solution phase peptide synthesis
[Synthesis]

D-Phenylalanine

673-06-3

D-Phenylalanine methyl ester hydrochloride

13033-84-6

Example 4: General procedure for the synthesis of D-phenylalanine methyl ester hydrochloride: anhydrous methanol (50 mL) was added to a 100 mL two-necked round-bottomed flask equipped with a reflux condenser and a dropping funnel, and the system was cooled to ice bath temperature. Acetyl chloride (3 mL) was slowly added dropwise through the dropping funnel.After 15 min, D-phenylalanine (3 g, 18.16 mmol) was added to the reaction system, followed by refluxing the reaction mixture at 70 °C overnight. Upon completion of the reaction, D-phenylalanine methyl ester hydrochloride was obtained by vacuum drying, and the product could be used for subsequent reactions without further purification. Procedure for synthesizing methyl phthalimide (D-NDI or NDI 3B): 1,4,5,8-naphthalenetetracarboxylic acid dianhydride (200 mg, 0.74 mmol) and D-phenylalanine methyl ester hydrochloride (322 mg, 1.49 mmol) were suspended in DMF (20 mL) in a 100 mL round-bottom flask. Triethylamine (0.6 mL) was added to the suspension under inert atmosphere. The reaction mixture was refluxed at 75 °C for 24 hours. At the end of the reaction, the solvent was removed by vacuum evaporation and the residue was purified by column chromatography (eluent: 1% chloroform solution in methanol) to afford the target product in 71% yield. Product characterization data: 1H NMR (400 MHz, CDCl3): δ8.63 (s, 4H), 7.1 (m, 10H), 6.02 (dd, 2H, J=4Hz, 4Hz), 3.77 (s, 6H), 3.73 (dd, 2H, J=8Hz, 4Hz), 3.50 (dd, 2H, J=12Hz, 4Hz). 13C NMR (400MHz, CDCl3): δ169.6, 162.4, 136.9, 131.3, 129.2, 128.5, 126.9, 126.8, 126.4, 54.9, 52.8, 34.9. mass spectra (EI): m/z=590.17 [M]+ (C34H26N2O8). Elemental analysis results: measured values: C, 69.10; H, 4.49; N, 4.78; calculated values: C, 69.15; H, 4.44; N, 4.74 (C34H26N2O8).

[References]

[1] Patent: WO2012/98439, 2012, A1. Location in patent: Page/Page column 17
[2] Patent: US6194409, 2001, B1
Spectrum DetailBack Directory
[Spectrum Detail]

D-Phenylalanine methyl ester hydrochloride(13033-84-6)1HNMR
D-Phenylalanine methyl ester hydrochloride(13033-84-6)IR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

D-Phenylalanine methyl ester hydrochloride, 99%(13033-84-6)
[Sigma Aldrich]

13033-84-6(sigmaaldrich)
[TCI AMERICA]

D-Phenylalanine Methyl Ester Hydrochloride,>98.0%(LC)(T)(13033-84-6)
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