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CAS No.: | 1141-23-7 |
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Name: | 3-(4-Chlorophenyl)glutaramic acid |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C11H12ClNO3 |
Molecular Weight: | 241.674 |
Synonyms: | Glutaramicacid, 3-(p-chlorophenyl)- (7CI,8CI);3-(p-Chlorophenyl)glutaramic acid; |
Density: | 1.343 g/cm3 |
Melting Point: | 168-170 °C |
Boiling Point: | 494.898 °C at 760 mmHg |
Flash Point: | 253.106 °C |
Hazard Symbols: | R36/37/38:Irritating to eyes, respiratory system and skin.; |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 80.39000 |
LogP: | 2.47400 |
4-(4-chlorophenyl)piperidine-2,6-dione
3-(p-chlorophenyl)glutaramic acid
Conditions | Yield |
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With sodium hydroxide In water at 65 - 70℃; for 1.5h; | 89.5% |
Conditions | Yield |
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Multi-step reaction with 4 steps 1: diammonium phosphate / water / 5 h / 15 - 20 °C 2: potassium hydroxide / 2 h / 85 - 90 °C 3: urea / 1 h / 130 - 140 °C 4: sodium hydroxide / water / 1.5 h / 65 - 70 °C View Scheme | |
Multi-step reaction with 3 steps 1: pyridine; piperidine / 12 h / Reflux 2: potassium carbonate; dihydrogen peroxide / methanol; dimethyl sulfoxide; water / 0 °C 3: hydrogenchloride / water / 95 °C View Scheme |
2-(4-chlorophenylmethylene)acetoacetic acid ethyl ester
3-(p-chlorophenyl)glutaramic acid
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: potassium hydroxide / 2 h / 85 - 90 °C 2: urea / 1 h / 130 - 140 °C 3: sodium hydroxide / water / 1.5 h / 65 - 70 °C View Scheme |
3-(4-chlorophenyl)pentane-1,5-dioic acid
3-(p-chlorophenyl)glutaramic acid
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: urea / 1 h / 130 - 140 °C 2: sodium hydroxide / water / 1.5 h / 65 - 70 °C View Scheme |
3-(p-chlorophenyl)glutaramic acid
Conditions | Yield |
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With hydrogenchloride In water at 95℃; |
3-(p-chlorophenyl)glutaramic acid
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: potassium carbonate; dihydrogen peroxide / methanol; dimethyl sulfoxide; water / 0 °C 2: hydrogenchloride / water / 95 °C View Scheme |
Conditions | Yield |
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With sodium sulfamate; sodium hypobromide at -5 - 55℃; for 2.16667h; | 79.4% |
Conditions | Yield |
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In methanol at 60℃; | A 73% B 53% |
Conditions | Yield |
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In methanol at 60 - 65℃; | 40% |
Conditions | Yield |
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With potassium carbonate In N,N-dimethyl-formamide | 91 mg |
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The 3-(4-Chlorophenyl)glutaramic acid, with the CAS registry number 1141-23-7, has the systematic name of 5-amino-3-(4-chlorophenyl)-5-oxopentanoic acid. It belongs to the category of Organic acid. And the molecular formula of the chemical is C11H12ClNO3.
The characteristics of this chemical are as followings: (1)ACD/LogP: 0.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.15; (4)ACD/LogD (pH 7.4): -1.95; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 6.22; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 46.61 Å2; (13)Index of Refraction: 1.578; (14)Molar Refractivity: 59.72 cm3; (15)Molar Volume: 179.8 cm3; (16)Polarizability: 23.67×10-24cm3; (17)Surface Tension: 56.7 dyne/cm; (18)Density: 1.343 g/cm3; (19)Flash Point: 253.1 °C; (20)Enthalpy of Vaporization: 80.29 kJ/mol; (21)Boiling Point: 494.9 °C at 760 mmHg; (22)Vapour Pressure: 1.3E-10 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1ccc(cc1)C(CC(=O)O)CC(=O)N
(2)InChI: InChI=1/C11H12ClNO3/c12-9-3-1-7(2-4-9)8(5-10(13)14)6-11(15)16/h1-4,8H,5-6H2,(H2,13,14)(H,15,16)
(3)InChIKey: NLCJVRPOYTZTMS-UHFFFAOYAG