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3-(4-Chlorophenyl)glutaramic acid

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Name

3-(4-Chlorophenyl)glutaramic acid

EINECS N/A
CAS No. 1141-23-7 Density 1.343 g/cm3
PSA 80.39000 LogP 2.47400
Solubility N/A Melting Point 168-170 °C
Formula C11H12ClNO3 Boiling Point 494.898 °C at 760 mmHg
Molecular Weight 241.674 Flash Point 253.106 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 1141-23-7 (3-(4-Chlorophenyl)glutaramic acid) Hazard Symbols R36/37/38:Irritating to eyes, respiratory system and skin.;
Synonyms

Glutaramicacid, 3-(p-chlorophenyl)- (7CI,8CI);3-(p-Chlorophenyl)glutaramic acid;

Article Data 2

3-(4-Chlorophenyl)glutaramic acid Synthetic route

84803-46-3

4-(4-chlorophenyl)piperidine-2,6-dione

1141-23-7

3-(p-chlorophenyl)glutaramic acid

Conditions
ConditionsYield
With sodium hydroxide In water at 65 - 70℃; for 1.5h;89.5%
104-88-1

4-chlorobenzaldehyde

1141-23-7

3-(p-chlorophenyl)glutaramic acid

Conditions
ConditionsYield
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
19411-80-4

2-(4-chlorophenylmethylene)acetoacetic acid ethyl ester

1141-23-7

3-(p-chlorophenyl)glutaramic acid

Conditions
ConditionsYield
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
35271-74-0

3-(4-chlorophenyl)pentane-1,5-dioic acid

1141-23-7

3-(p-chlorophenyl)glutaramic acid

Conditions
ConditionsYield
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)-glutaramide

1141-23-7

3-(p-chlorophenyl)glutaramic acid

Conditions
ConditionsYield
With hydrogenchloride In water at 95℃;

3-(4′-chlorophenyl)glutaronitrile

1141-23-7

3-(p-chlorophenyl)glutaramic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: potassium carbonate; dihydrogen peroxide / methanol; dimethyl sulfoxide; water / 0 °C
2: hydrogenchloride / water / 95 °C
View Scheme
1141-23-7

3-(p-chlorophenyl)glutaramic acid

1134-47-0

4-amino-3-(4-chlorophenyl)butanoic acid

Conditions
ConditionsYield
With sodium sulfamate; sodium hypobromide at -5 - 55℃; for 2.16667h;79.4%
2627-86-3

(S)-1-phenyl-ethylamine

1141-23-7

3-(p-chlorophenyl)glutaramic acid

A

(R)-4-Carbamoyl-3-(4-chloro-phenyl)-butyric acid; compound with (S)-1-phenyl-ethylamine

B

(S)-4-Carbamoyl-3-(4-chloro-phenyl)-butyric acid; compound with (S)-1-phenyl-ethylamine

Conditions
ConditionsYield
In methanol at 60℃;A 73%
B 53%
2627-86-3

(S)-1-phenyl-ethylamine

1141-23-7

3-(p-chlorophenyl)glutaramic acid

(R)-4-Carbamoyl-3-(4-chloro-phenyl)-butyric acid; compound with (S)-1-phenyl-ethylamine

Conditions
ConditionsYield
In methanol at 60 - 65℃;40%
1141-23-7

3-(p-chlorophenyl)glutaramic acid

100-39-0

benzyl bromide

benzyl 4-carbamoyl-3-(4-chlorophenyl)butanoate

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide91 mg

3-(4-Chlorophenyl)glutaramic acid Specification

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

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