ChemicalBook--->CAS DataBase List--->17193-40-7

17193-40-7

17193-40-7 Structure

17193-40-7 Structure
IdentificationMore
[Name]

L-4-Nitrophenylalanine methyl ester hydrochloride
[CAS]

17193-40-7
[Synonyms]

4-NITRO-L-PHENYLALANINE METHYL ESTER HYDROCHLORIDE
H-PHE(4-NO2)-OME HCL
H-PHE(P-NO2)-OME HCL
H-P-NITRO-PHE-OME HCL
L-4-NITROPHENYLALANINE METHYL ESTER HCL
METHYL 4-NITRO-L-PHENYLALANINATE HYDROCHLORIDE
METHYL (S)-2-AMINO-3-(4-NITROPHENYL)PROPANOIATE HYDROCHLORIDE
P-NITRO-L-PHENYLALANINE METHYL ESTER HCL
P-NITRO-L-PHENYLALANINE METHYL ESTER HYDROCHLORIDE
P-NITROPHENYLALANINE METHYL ESTER HYDROCHLORIDE
P-NITRO-PHENYLALANINE-OME HCL
(S)-(+)-4-NITROPHENYLALANINE METHYL ESTER HYDROCHLORIDE
(S)-4-NITROPHENYLALANINE METHYL ESTER HYDROCHLORIDE
(S)-ALFA-AMINO-4-NITRO BENZENEPROPANOIC ACID METHYL ESTER HYDROCHLORIDE
3-(4-Nitrophenyl)-L-alanine methylester hydrochloride
4-Nitro-L-Phenylalanine Methyl Ester HCl
(S)-Methyl-4-Nitro Phenyl Alaninate hydrochloride
4-Nitro-L-Phenylalanine methyl ester monohydrochloride
4-NO2-Phe-oMe.HCL
L-4-Nitrophenylalanine methyl ester hydrochloride
[Molecular Formula]

C10H13ClN2O4
[MDL Number]

MFCD00135754
[Molecular Weight]

260.67
[MOL File]

17193-40-7.mol
Chemical PropertiesBack Directory
[Melting point ]

210-214 °C
[storage temp. ]

2-8°C
[solubility ]

Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
[form ]

powder to crystal
[color ]

White to Light yellow
[Optical Rotation]

20.9° (c=1.0 g/100ml, ETOH)
[BRN ]

5176380
[Major Application]

peptide synthesis
[InChI]

1S/C10H12N2O4.ClH/c1-16-10(13)9(11)6-7-2-4-8(5-3-7)12(14)15;/h2-5,9H,6,11H2,1H3;1H/t9-;/m0./s1
[InChIKey]

BTHMRXRBXYHLRA-FVGYRXGTSA-N
[SMILES]

Cl[H].COC(=O)[C@@H](N)Cc1ccc(cc1)[N+]([O-])=O
[CAS DataBase Reference]

17193-40-7(CAS DataBase Reference)
Safety DataBack Directory
[Risk Statements ]

R22:Harmful if swallowed.
[Safety Statements ]

S22:Do not breathe dust .
S36/37:Wear suitable protective clothing and gloves .
[RIDADR ]

2811
[WGK Germany ]

3
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29225090
[Storage Class]

11 - Combustible Solids
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

L-4-Nitrophenylalanine methyl ester hydrochloride(17193-40-7).msds
Hazard InformationBack Directory
[Chemical Properties]

White solid
[Uses]

4-Nitro-L-Phenylalanine Methyl Ester Hydrochloride, is an intermediate in the synthesis of various pharmaceutical compounds. It can be used for the preparation of Matijing-Su derivatives as potent anti-HBV agents.
[reaction suitability]

reaction type: solution phase peptide synthesis
[Synthesis]

Methanol

67-56-1

4-Nitro-3-phenyl-L-alanine

949-99-5

L-4-Nitrophenylalanine methyl ester hydrochloride

17193-40-7

Thionyl chloride (1.03 mL, 14.2 mmol) was slowly added dropwise to a suspension of (S)-2-amino-3-(4-nitrophenyl)propionic acid (0.995 g, 4.73 mmol) dissolved in 10 mL of methanol at 0 °C. After the dropwise addition, the reaction system was gradually warmed up to room temperature. Subsequently, the reaction mixture was heated to reflux the reaction overnight. Upon completion of the reaction, the reaction solution was concentrated by distillation under reduced pressure. The crude product was purified by recrystallization using a mixed solvent of methanol/ethyl acetate, and finally 1.012 g of (S)-4-nitrophenylalanine methyl ester hydrochloride was obtained in 95% yield.

[References]

[1] Organic and Biomolecular Chemistry, 2014, vol. 12, # 22, p. 3686 - 3700
[2] Journal of Medicinal Chemistry, 1995, vol. 38, # 18, p. 3566 - 3580
[3] Bioorganic and Medicinal Chemistry, 2013, vol. 21, # 17, p. 5407 - 5413
[4] Chemistry - A European Journal, 2017, vol. 23, # 24, p. 5824 - 5829
[5] New Journal of Chemistry, 2017, vol. 41, # 23, p. 14723 - 14729
Spectrum DetailBack Directory
[Spectrum Detail]

L-4-Nitrophenylalanine methyl ester hydrochloride(17193-40-7)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

4-Nitro-L-phenylalanine methyl ester hydrochloride, 97%(17193-40-7)
[Sigma Aldrich]

17193-40-7(sigmaaldrich)
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