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2,4-Dichloro-DL-phenylalanine

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Name

2,4-Dichloro-DL-phenylalanine

EINECS N/A
CAS No. 5472-68-4 Density 1.45 g/cm3
PSA 63.32000 LogP 2.64810
Solubility N/A Melting Point 239ºC
Formula C9H9Cl2NO2 Boiling Point 368.1 °C at 760 mmHg
Molecular Weight 234.082 Flash Point 176.4 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 5472-68-4 (2,4-Dichloro-DL-phenylalanine) Hazard Symbols N/A
Synonyms

Alanine,3-(2,4-dichlorophenyl)-, DL- (6CI);DL-Phenylalanine, 2,4-dichloro-;2,4-Dichloro-DL-phenylalanine;DL-2,4-Dichlorophenylalanine;NSC 29445;

Article Data 5

2,4-Dichloro-DL-phenylalanine Synthetic route

146882-06-6

(2,4-dichloro-benzyl)-malonic acid

5472-68-4

rac-2,4-dichloro-Phe

Conditions
ConditionsYield
With tris-(2-chloro-ethyl)-amine; sulfuric acid; benzene
5472-72-0

acetylamino-(2,4-dichloro-benzyl)-malonic acid diethyl ester

5472-68-4

rac-2,4-dichloro-Phe

Conditions
ConditionsYield
With hydrogen bromide
(+-)-2-chloro-3-<2,4-dichloro-phenyl>-propionic acid

(+-)-2-chloro-3-<2,4-dichloro-phenyl>-propionic acid

5472-68-4

rac-2,4-dichloro-Phe

Conditions
ConditionsYield
With ammonia; ammonium chloride

acetamidomalonate

2,4-dichloro-benzyl halide

2,4-dichloro-benzyl halide

5472-68-4

rac-2,4-dichloro-Phe

61023-54-9

2-(2,4-dichloro-benzyl)-malonic acid diethyl ester

5472-68-4

rac-2,4-dichloro-Phe

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: aqueous KOH
2: HN3; H2SO4; benzene
View Scheme
94-99-5

2,4-Dichlorobenzyl chloride

5472-68-4

rac-2,4-dichloro-Phe

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: ethanol
2: concentrated aqueous HBr
View Scheme
20443-99-6

2,4-dichlorobenzyl bromide

5472-68-4

rac-2,4-dichloro-Phe

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: sodium ethylate; ethanol
2: aqueous KOH
3: HN3; H2SO4; benzene
View Scheme
50-00-0

formaldehyd

methyl 2,4-dichloro-N-(ethoxycarbonyl)phenylalaninate

A

5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

B

5472-68-4

rac-2,4-dichloro-Phe

Conditions
ConditionsYield
With sulfuric acid; acetic acid at 80℃; for 8h; Microwave irradiation;
5472-68-4

rac-2,4-dichloro-Phe

74-89-5

methylamine

215311-39-0

D,L 2,4-dichlorophenylalanine N-methylamide

Conditions
ConditionsYield
Stage #1: rac-2,4-dichloro-Phe With chloro-trimethyl-silane In methanol Heating / reflux;
Stage #2: methylamine In methanol at -20 - 20℃; for 3h;
85%
5472-68-4

rac-2,4-dichloro-Phe

114872-98-9

2,4-dichloro-D-phenylalanine

Conditions
ConditionsYield
With sodium hydroxide; oxygen; 2-amino-2-hydroxymethyl-1,3-propanediol In water at 30℃; for 3h; pH=7.3; Resolution of racemate; Enzymatic reaction; enantioselective reaction;49%

2,4-Dichloro-DL-phenylalanine Specification

This chemical is called 2,4-Dichloro-DL-phenylalanine, and its systematic name is 2,4-Dichlorophenylalanine. With the molecular formula of C9H9Cl2NO2, its molecular weight is 234.08. The CAS registry number of the chemical is 5472-68-4. 

Other characteristics of 2,4-Dichloro-DL-phenylalanine can be summarised as followings: (1)ACD/LogP: 2.32; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1.38; (6)ACD/KOC (pH 7.4): 1.28; (7)#H bond acceptors: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 29.54 Å2; (11)Index of Refraction: 1.601; (12)Molar Refractivity: 55.28 cm3; (13)Molar Volume: 161.3 cm3; (14)Polarizability: 21.91×10-24cm3; (15)Surface Tension: 57.1 dyne/cm; (16)Density: 1.45 g/cm3; (17)Flash Point: 176.4 °C; (18)Enthalpy of Vaporization: 64.86 kJ/mol; (19)Boiling Point: 368.1 °C at 760 mmHg; (20)Vapour Pressure: 4.55E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Clc1cc(Cl)ccc1CC(C(=O)O)N
2.InChI: InChI=1/C9H9Cl2NO2/c10-6-2-1-5(7(11)4-6)3-8(12)9(13)14/h1-2,4,8H,3,12H2,(H,13,14)
3.InChIKey: GWHQTNKPTXDNRM-UHFFFAOYAI
4.Std. InChI: InChI=1S/C9H9Cl2NO2/c10-6-2-1-5(7(11)4-6)3-8(12)9(13)14/h1-2,4,8H,3,12H2,(H,13,14)
5.Std. InChIKey: GWHQTNKPTXDNRM-UHFFFAOYSA-N

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