CAS No.1141-23-7,3-(4-Chlorophenyl)glutaramic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1141-23-7
Name:	3-(4-Chlorophenyl)glutaramic acid
Article Data:	2

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

Synthetic route

: 84803-46-3
4-(4-chlorophenyl)piperidine-2,6-dione

: 1141-23-7
3-(p-chlorophenyl)glutaramic acid

Conditions

Conditions	Yield
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

Conditions	Yield
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

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

: 35271-74-0
3-(4-chlorophenyl)pentane-1,5-dioic acid

: 1141-23-7
3-(p-chlorophenyl)glutaramic acid

Conditions

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)-glutaramide

: 1141-23-7
3-(p-chlorophenyl)glutaramic acid

Conditions

Conditions	Yield
With hydrogenchloride In water at 95℃;

: 3-(4′-chlorophenyl)glutaronitrile

: 1141-23-7
3-(p-chlorophenyl)glutaramic acid

Conditions

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

: 1141-23-7
3-(p-chlorophenyl)glutaramic acid

: 1134-47-0
4-amino-3-(4-chlorophenyl)butanoic acid

Conditions

Conditions	Yield
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

Conditions	Yield
In methanol at 60℃;	A 73% B 53%

...Expand

: 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

Conditions	Yield
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

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide	91 mg

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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