Product Name

  • Name

    3-(4-Chlorophenyl)glutaramic acid

  • EINECS
  • CAS No. 1141-23-7
  • Article Data2
  • CAS DataBase
  • Density 1.343 g/cm3
  • Solubility
  • 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
  • Appearance
  • 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;
  • PSA 80.39000
  • LogP 2.47400

Synthetic route

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

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

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

3-(p-chlorophenyl)glutaramic acid

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

4-chlorobenzaldehyde

3-(p-chlorophenyl)glutaramic acid
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
2-(4-chlorophenylmethylene)acetoacetic acid ethyl ester
19411-80-4

2-(4-chlorophenylmethylene)acetoacetic acid ethyl ester

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

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

3-(p-chlorophenyl)glutaramic 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

3-(p-chlorophenyl)-glutaramide

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

3-(p-chlorophenyl)glutaramic acid

Conditions
ConditionsYield
With hydrogenchloride In water at 95℃;
3-(4′-chlorophenyl)glutaronitrile

3-(4′-chlorophenyl)glutaronitrile

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

3-(p-chlorophenyl)glutaramic acid

4-amino-3-(4-chlorophenyl)butanoic 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%
(S)-1-phenyl-ethylamine
2627-86-3

(S)-1-phenyl-ethylamine

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

3-(p-chlorophenyl)glutaramic acid

A

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

(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

(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%
...Expand
(S)-1-phenyl-ethylamine
2627-86-3

(S)-1-phenyl-ethylamine

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

3-(p-chlorophenyl)glutaramic acid

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

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

Conditions
ConditionsYield
In methanol at 60 - 65℃;40%
3-(p-chlorophenyl)glutaramic acid
1141-23-7

3-(p-chlorophenyl)glutaramic acid

benzyl bromide
100-39-0

benzyl bromide

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

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

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide91 mg
3-(p-chlorophenyl)glutaramic acid
1141-23-7

3-(p-chlorophenyl)glutaramic acid

(R)-baclofen
69308-37-8

(R)-baclofen

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: methanol / 60 - 65 °C
2: sodium hydroxide / water / 20 - 25 °C
3: sodium hydroxide; sodium hypochlorite / water / 6 h / 0 - 40 °C
View Scheme
3-(p-chlorophenyl)glutaramic acid
1141-23-7

3-(p-chlorophenyl)glutaramic acid

(R)-(-)-baclofen hydrochloride
63701-55-3

(R)-(-)-baclofen hydrochloride

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: methanol / 60 - 65 °C
2: sodium hydroxide / water / 20 - 25 °C
3: sodium hydroxide; sodium hypochlorite / water / 6 h / 0 - 40 °C
4: hydrogenchloride / ethyl acetate / 1 h
View Scheme
3-(p-chlorophenyl)glutaramic acid
1141-23-7

3-(p-chlorophenyl)glutaramic acid

(R)-baclofen cinnamic acid

(R)-baclofen cinnamic acid

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: methanol / 60 - 65 °C
2: sodium hydroxide / water / 20 - 25 °C
3: sodium hydroxide; sodium hypochlorite / water / 6 h / 0 - 40 °C
4: acetone / 15 h / 15 - 25 °C
View Scheme
Multi-step reaction with 5 steps
1.1: methanol / 60 - 65 °C
2.1: sodium hydroxide / water / 20 - 25 °C
3.1: sodium hydroxide; sodium hypochlorite / water / 6 h / 0 - 40 °C
4.1: hydrogenchloride / ethyl acetate / 1 h
5.1: ammonia / water; methanol / pH 6.5-7
5.2: 15 h / 15 - 25 °C
View Scheme
3-(p-chlorophenyl)glutaramic acid
1141-23-7

3-(p-chlorophenyl)glutaramic acid

(R)-baclofen salicyclic acid

(R)-baclofen salicyclic acid

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: methanol / 60 - 65 °C
2: sodium hydroxide / water / 20 - 25 °C
3: sodium hydroxide; sodium hypochlorite / water / 6 h / 0 - 40 °C
4: tert-butyl methyl ether / 15 h / 15 - 25 °C
View Scheme
Multi-step reaction with 5 steps
1.1: methanol / 60 - 65 °C
2.1: sodium hydroxide / water / 20 - 25 °C
3.1: sodium hydroxide; sodium hypochlorite / water / 6 h / 0 - 40 °C
4.1: hydrogenchloride / ethyl acetate / 1 h
5.1: ammonia / water; methanol / pH 6.5-7
5.2: 15 h / 15 - 25 °C
View Scheme
3-(p-chlorophenyl)glutaramic acid
1141-23-7

3-(p-chlorophenyl)glutaramic acid

(R)-baclofen ferulic acid

(R)-baclofen ferulic acid

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: methanol / 60 - 65 °C
2: sodium hydroxide / water / 20 - 25 °C
3: sodium hydroxide; sodium hypochlorite / water / 6 h / 0 - 40 °C
4: water; acetone / 15 h / 15 - 25 °C
View Scheme
Multi-step reaction with 5 steps
1.1: methanol / 60 - 65 °C
2.1: sodium hydroxide / water / 20 - 25 °C
3.1: sodium hydroxide; sodium hypochlorite / water / 6 h / 0 - 40 °C
4.1: hydrogenchloride / ethyl acetate / 1 h
5.1: ammonia / water; acetone / pH 6.5-7
5.2: 15 h / 15 - 25 °C
View Scheme
3-(p-chlorophenyl)glutaramic acid
1141-23-7

3-(p-chlorophenyl)glutaramic acid

(R)-baclofen benzoic acid

(R)-baclofen benzoic acid

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: methanol / 60 - 65 °C
2: sodium hydroxide / water / 20 - 25 °C
3: sodium hydroxide; sodium hypochlorite / water / 6 h / 0 - 40 °C
4: 15 h / 15 - 25 °C
View Scheme
Multi-step reaction with 5 steps
1.1: methanol / 60 - 65 °C
2.1: sodium hydroxide / water / 20 - 25 °C
3.1: sodium hydroxide; sodium hypochlorite / water / 6 h / 0 - 40 °C
4.1: hydrogenchloride / ethyl acetate / 1 h
5.1: ammonia / water; methanol / pH 6.5-7
5.2: 15 h / 15 - 25 °C
View Scheme

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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