Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

4-(4-Chlorophenyl)-3-methyl-4-oxobutanoic acid
Related Products

Hot Products

Basic Information Post buying leads Suppliers Cas Database
Name

4-(4-Chlorophenyl)-3-methyl-4-oxobutanoic acid

 EINECS 610-810-1
CAS No. 52240-25-2 Density 1.277 g/cm3
PSA 54.37000 LogP 2.63350
Solubility N/A Melting Point 82-83 °C
Formula C11H11ClO3 Boiling Point 407.626 °C at 760 mmHg
Molecular Weight 226.66 Flash Point 200.325 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 52240-25-2 (4-CHLORO-BETA-METHYL-Y-OXO-BENZENEBUTANOIC ACID) Hazard Symbols N/A
Synonyms

3-(p-Chlorobenzoyl)butanoic acid;Butyric acid, 3-p-chlorobenzoyl- (6CI);3-(p-Chlorobenzoyl)butyric acid;

Article Data 9

4-(4-Chlorophenyl)-3-methyl-4-oxobutanoic acid Synthetic route

53012-96-7

4-(4-chlorophenyl)-3-methyl-4-oxobutyronitrile

52240-25-2

4-(4-chlorophenyl)-3-methyl-4-oxobutanoic acid

Conditions
ConditionsYield
With hydrogenchloride; water at 100℃; for 5h; Inert atmosphere;72%
With hydrogenchloride; water at 100℃; for 5h; Inert atmosphere;72%
With hydrogenchloride; water Heating;54.6%
With hydrogenchloride; water
6285-05-8

4'-chloropropiophenone

lithium-bromoacetate

lithium-bromoacetate

52240-25-2

4-(4-chlorophenyl)-3-methyl-4-oxobutanoic acid

Conditions
ConditionsYield
104-88-1

4-chlorobenzaldehyde

52240-25-2

4-(4-chlorophenyl)-3-methyl-4-oxobutanoic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: sodium cyanide / dimethylformamide / 2 h / 40 °C
2: 54.6 percent / conc. HCl, water / Heating
View Scheme
Multi-step reaction with 2 steps
1: sodium cyanide / N,N-dimethyl-formamide; methanol
2: hydrogenchloride; water
View Scheme
Multi-step reaction with 2 steps
1.1: N,N-dimethyl-formamide / 2 h / 35 - 38 °C / Inert atmosphere
1.2: 3.5 h / 40 °C / Inert atmosphere
2.1: hydrogenchloride; water / 5 h / 100 °C / Inert atmosphere
View Scheme
Multi-step reaction with 2 steps
1.1: sodium cyanide / N,N-dimethyl-formamide / 2 h / 35 - 38 °C / Inert atmosphere
1.2: 40 °C / Inert atmosphere
2.1: hydrogenchloride; water / 5 h / 100 °C / Inert atmosphere
View Scheme
52240-25-2

4-(4-chlorophenyl)-3-methyl-4-oxobutanoic acid

85633-96-1

3-methyl-4-oxo-4-(3'-nitro-4'-chloro-phenyl)-butyric acid

Conditions
ConditionsYield
With nitric acid at -15 - -10℃; for 0.5h;98%
With nitric acid at -15 - -10℃; Inert atmosphere;90%
With nitric acid at -15 - -10℃; Inert atmosphere;90%
With nitric acid In water
52240-25-2

4-(4-chlorophenyl)-3-methyl-4-oxobutanoic acid

5-methyl-6-<2-(2-pyrrolyl)-5-benzimidazoyl>-2,3,4,5-tetrahydro-pyridazin-3-one

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1: 98 percent / nitric acid / 0.5 h / -15 - -10 °C
2: 98 percent / hydrazine hydrate / acetic acid / 2.5 h / 100 °C
3: 86 percent / butan-1-ol / 20 h / Heating
4: 88.6 percent / H2, 1N aq. HCL / 5percent Pd/C / methanol / 2 h
5: 32 percent / sodium bisulfite / dimethylformamide / 2 h / Heating
View Scheme
52240-25-2

4-(4-chlorophenyl)-3-methyl-4-oxobutanoic acid

5-methyl-6<2-(2-thiazolyl)-5-benzimidazoyl>-2,3,4,5-tetrahydro-pyridazin-3-one

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1: 98 percent / nitric acid / 0.5 h / -15 - -10 °C
2: 98 percent / hydrazine hydrate / acetic acid / 2.5 h / 100 °C
3: 86 percent / butan-1-ol / 20 h / Heating
4: 88.6 percent / H2, 1N aq. HCL / 5percent Pd/C / methanol / 2 h
5: 29 percent / sodium bisulfite / dimethylformamide / 2 h / Heating
View Scheme
52240-25-2

4-(4-chlorophenyl)-3-methyl-4-oxobutanoic acid

5-methyl-6-<2-(1,2,4-triazol-5-yl)-5-benzimidazoyl>-2,3,4,5-tetrahydro-pyridazin-3-one

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1: 98 percent / nitric acid / 0.5 h / -15 - -10 °C
2: 98 percent / hydrazine hydrate / acetic acid / 2.5 h / 100 °C
3: 86 percent / butan-1-ol / 20 h / Heating
4: 88.6 percent / H2, 1N aq. HCL / 5percent Pd/C / methanol / 2 h
5: 25 percent / sodium bisulfite / dimethylformamide / 2 h / Heating
View Scheme
52240-25-2

4-(4-chlorophenyl)-3-methyl-4-oxobutanoic acid

5-methyl-6-<2-(5-<1-methyl>pyrazolyl)-5-benzimidazoyl>-2,3,4,5-tetrahydro-pyridazin-3-one

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1: 98 percent / nitric acid / 0.5 h / -15 - -10 °C
2: 98 percent / hydrazine hydrate / acetic acid / 2.5 h / 100 °C
3: 86 percent / butan-1-ol / 20 h / Heating
4: 88.6 percent / H2, 1N aq. HCL / 5percent Pd/C / methanol / 2 h
5: 68 percent / sodium bisulfite / dimethylformamide / 2 h / Heating
View Scheme
52240-25-2

4-(4-chlorophenyl)-3-methyl-4-oxobutanoic acid

5-methyl-6-<2-(3-<1-methyl>pyrazolyl)-5-benzimidazoyl>-2,3,4,5-tetrahydro-pyridazin-3-one

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1: 98 percent / nitric acid / 0.5 h / -15 - -10 °C
2: 98 percent / hydrazine hydrate / acetic acid / 2.5 h / 100 °C
3: 86 percent / butan-1-ol / 20 h / Heating
4: 88.6 percent / H2, 1N aq. HCL / 5percent Pd/C / methanol / 2 h
5: 54 percent / sodium bisulfite / dimethylformamide / 2 h / Heating
View Scheme
52240-25-2

4-(4-chlorophenyl)-3-methyl-4-oxobutanoic acid

5-methyl-6-<2-(2-<5-chlorothienyl>)-5-benzimidazoyl>-2,3,4,5-tetrahydro-pyridazin-3-one

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1: 98 percent / nitric acid / 0.5 h / -15 - -10 °C
2: 98 percent / hydrazine hydrate / acetic acid / 2.5 h / 100 °C
3: 86 percent / butan-1-ol / 20 h / Heating
4: 88.6 percent / H2, 1N aq. HCL / 5percent Pd/C / methanol / 2 h
5: 35 percent / sodium bisulfite / dimethylformamide / 2 h / Heating
View Scheme

4-(4-Chlorophenyl)-3-methyl-4-oxobutanoic acid Specification

The 4-(4-Chlorophenyl)-3-methyl-4-oxobutanoic acid, with the CAS registry number 52240-25-2, is also known as 3-(p-Chlorobenzoyl)butyric acid. This chemical's molecular formula is C11H11ClO3 and molecular weight is 226.66. What's more, its systematic name is 4-(4-Chlorophenyl)-3-methyl-4-oxobutanoic acid.

Physical properties of 4-(4-Chlorophenyl)-3-methyl-4-oxobutanoic acid are: (1)ACD/LogP: 2.319; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.24; (4)ACD/LogD (pH 7.4): -0.56; (5)ACD/BCF (pH 5.5): 2.86; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 36.54; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 54.37 Å2; (13)Index of Refraction: 1.551; (14)Molar Refractivity: 56.598 cm3; (15)Molar Volume: 177.437 cm3; (16)Polarizability: 22.437×10-24cm3; (17)Surface Tension: 47.9 dyne/cm; (18)Density: 1.277 g/cm3; (19)Flash Point: 200.325 °C; (20)Enthalpy of Vaporization: 69.545 kJ/mol; (21)Boiling Point: 407.626 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(Cl)cc1)C(CC(=O)O)C
(2)Std. InChI: InChI=1S/C11H11ClO3/c1-7(6-10(13)14)11(15)8-2-4-9(12)5-3-8/h2-5,7H,6H2,1H3,(H,13,14)
(3)Std. InChIKey: SSAOBKRLGFAMTI-UHFFFAOYSA-N  

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 52240-25-2