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CAS No.: | 6212-33-5 |
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Name: | DL-4-Chlorophenylglycine |
Article Data: | 23 |
Molecular Structure: | |
Formula: | C8H8ClNO2 |
Molecular Weight: | 185.61 |
Synonyms: | Glycine,2-(p-chlorophenyl)- (7CI,8CI);2-(4-Chlorophenyl)glycine;2-Amino-2-(4-chlorophenyl)acetic acid;DL-2-(p-Chlorophenyl)glycine; |
EINECS: | 612-944-6 |
Density: | 1.392 g/cm3 |
Melting Point: | 220-230 °C |
Boiling Point: | 328.8 °C at 760 mmHg |
Flash Point: | 152.7 °C |
Appearance: | white to light yellow crystal powder |
Hazard Symbols: | Xn |
Risk Codes: | 22-36/37/38 |
Safety: | 26-36 |
PSA: | 63.32000 |
LogP: | 2.12470 |
Conditions | Yield |
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With 4-methoxy-N-(1-(naphthalen-2-yl)ethylidene)aniline; ammonium formate In methanol at 80℃; for 12h; Inert atmosphere; chemoselective reaction; | 91% |
With (S)-2-amino-(2-chlorophenyl)ethanoic acid In water; acetonitrile at 50℃; for 36h; Reflux; Inert atmosphere; | 61% |
2-(4-chlorophenyl)-2-(hydroxyimino)acetic acid
2-(4-Chlorophenyl)glycine
Conditions | Yield |
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With sodium tetrahydroborate; nickel; sodium hydroxide In methanol; water at 20 - 30℃; | 90% |
Stage #1: 2-(4-chlorophenyl)-2-(hydroxyimino)acetic acid In methanol at 20℃; Stage #2: With sodium tetrahydroborate; sodium hydroxide In methanol; water at 50 - 64℃; |
Conditions | Yield |
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With sodium hydroxide for 24h; Heating; | 70.3% |
With sodium hydroxide | |
With sodium hydroxide | |
With potassium carbonate In water at 178℃; under 18751.9 Torr; for 0.0666667h; |
Conditions | Yield |
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Stage #1: potassium cyanide; 4-chlorobenzaldehyde With water; ammonium chloride In methanol at 20℃; for 2h; Stage #2: With hydrogenchloride In water; toluene for 24h; Reflux; | 34% |
α-Isocyano-p-chlorphenylessigsaeureaethylester
2-(4-Chlorophenyl)glycine
Conditions | Yield |
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(i) aq. HCl, MeOH, (ii) NaOH; Multistep reaction; |
Conditions | Yield |
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Multistep reaction; |
2-(4-Chlorophenyl)glycine
Conditions | Yield |
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With potassium hydroxide In methanol for 2h; Ambient temperature; Yield given; |
(R)-2-amino-2-(4-chlorophenyl)acetic acid
2-(4-Chlorophenyl)glycine
Conditions | Yield |
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With sodium dihydrogenphosphate; tritium oxide at 80.2 - 110.3℃; Thermodynamic data; Rate constant; pH 10.0; Ea, ΔH(excit.), ΔS(excit.); |
2-(4-Chlorophenyl)glycine
Conditions | Yield |
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With barium dihydroxide |
Conditions | Yield |
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Multi-step reaction with 2 steps 1: 72.5 percent / ethanol; H2O / 12 h / 60 °C 2: 70.3 percent / 10percent aq. NaOH / 24 h / Heating View Scheme |
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The CAS register number of DL-2-(4-chlorophenyl)glycine is 6212-33-5. It also can be called as DL-2-Amino-4-chlorophenylacetic acid and the IUPAC name about this chemical is 2-amino-2-(4-chlorophenyl)acetic acid. The molecular formula about this chemical is C8H8ClNO2 and the molecular weight is 185.61. It belongs to the following product categories, such as Amino Acids Series; Pharmacetical; Chiral and so on. This chemical is stable under normal temperature and pressure. If you want to store this chemical, please keep it in a closed container and store it in a cool, dry place. This chemical can be used to synthesize drugs.
Physical properties about DL-2-(4-chlorophenyl)glycine are: (1)ACD/LogP: 1.54; (2)ACD/LogD (pH 5.5): -0.96; (3)ACD/LogD (pH 7.4): -0.96; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 29.54Å2; (12)Index of Refraction: 1.603; (13)Molar Refractivity: 45.79 cm3; (14)Molar Volume: 133.2 cm3; (15)Polarizability: 18.15x10-24cm3; (16)Surface Tension: 58.9 dyne/cm; (17)Enthalpy of Vaporization: 60.3 kJ/mol; (18)Boiling Point: 328.8 °C at 760 mmHg; (19)Vapour Pressure: 7.45E-05 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed and it is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing and do not breathe dust.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(cc1)C(N)C(=O)O
(2)InChI: InChI=1/C8H8ClNO2/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7H,10H2,(H,11,12)
(3)InChIKey: QGJGBYXRJVIYGA-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C8H8ClNO2/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7H,10H2,(H,11,12)
(5)Std. InChIKey: QGJGBYXRJVIYGA-UHFFFAOYSA-N