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

3-Benzoylacrylic acid

Related Products

Hot Products

Name

3-Benzoylacrylic acid

EINECS 209-496-5
CAS No. 583-06-2 Density 1.238 g/cm3
PSA 54.37000 LogP 1.51010
Solubility Insoluble in water. Melting Point 94-97 °C(lit.)
Formula C10H8O3 Boiling Point 333.9 °C at 760 mmHg
Molecular Weight 176.172 Flash Point 170 °C
Transport Information UN 2811 Appearance Yellow to yellow-brown cryst. needles or powde
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 583-06-2 (3-BENZOYLACRYLIC ACID) Hazard Symbols IrritantXi
Synonyms

Acrylicacid, 3-benzoyl- (6CI,7CI,8CI);Acrylic acid, b-benzoyl- (2CI);3-Benzoylacrylic acid;4-Oxo-4-phenylcrotonic acid;Benzoylacrylic acid;NSC 143;b-Benzoylacrylic acid;

Article Data 31

3-Benzoylacrylic acid Synthetic route

108-31-6

maleic anhydride

71-43-2

benzene

583-06-2

3-benzoylacrylic acid

Conditions
ConditionsYield
With aluminum (III) chloride at 80℃; for 0.5h;85%
With aluminium trichloride In carbon disulfide at 5℃;60%
98-86-2

acetophenone

298-12-4

Glyoxilic acid

583-06-2

3-benzoylacrylic acid

Conditions
ConditionsYield
With hydrogenchloride In water; acetic acid for 18h; Reflux;81%
at 100 - 105℃; for 2h;
2243-53-0

styrylacetic acid

583-06-2

3-benzoylacrylic acid

Conditions
ConditionsYield
With water; iodine; sodium carbonate; potassium iodide
65245-10-5

2-hydroxy-4-oxo-4-phenyl-butyric acid

583-06-2

3-benzoylacrylic acid

Conditions
ConditionsYield
With sulfuric acid at 0℃; anschliessend in Eiswasser giessen;
99389-54-5

4-hydroxy-4-phenylbut-2-enoic acid

583-06-2

3-benzoylacrylic acid

Conditions
ConditionsYield
With iodine; sodium carbonate
53515-22-3

3-bromo-4-oxo-4-phenylbutanoic acid

583-06-2

3-benzoylacrylic acid

Conditions
ConditionsYield
With sodium acetate; acetic acid

(α-bromo-cis-cinnamic acid )-(4-oxo-4-phenyl-crotonic acid )-anhydride

64-19-7

acetic acid

A

583-06-2

3-benzoylacrylic acid

B

15894-30-1

(E)-2-Bromo-3-phenyl-acrylic acid

(α-bromo-trans-cinnamic acid )-(4-oxo-4-phenyl-crotonic acid )-anhydride

64-19-7

acetic acid

A

583-06-2

3-benzoylacrylic acid

B

15813-24-8

(Z)-2-bromo-3-phenylacrylic acid

53515-22-3

3-bromo-4-oxo-4-phenylbutanoic acid

127-09-3

sodium acetate

64-19-7

acetic acid

583-06-2

3-benzoylacrylic acid

108-31-6

maleic anhydride

95896-86-9

1-bromocyclohexa-1,4-diene

583-06-2

3-benzoylacrylic acid

Conditions
ConditionsYield
(i) AgSbF6, SO2, (ii) /BRN= 106909/; Multistep reaction;

3-Benzoylacrylic acid Specification

This chemical is called 2-Butenoic acid, 4-oxo-4-phenyl-, and it can also be named as  Benzoylacrylic acid. With the molecular formula of C10H8O3, its molecular weight is 176.17. The CAS registry number of this chemical is 583-06-2. Additionally, its product categories are Aromatic Cinnamic Acids, Esters and Derivatives.

Other characteristics of the 2-Butenoic acid, 4-oxo-4-phenyl- can be summarised as followings: (1)ACD/LogP: 1.59; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1.52; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 43.37 Å2; (11)Index of Refraction: 1.577; (12)Molar Refractivity: 47.16 cm3; (13)Molar Volume: 142.2 cm3; (14)Polarizability: 18.69×10-24cm3; (15)Surface Tension: 51.5 dyne/cm; (16)Density: 1.238 g/cm3; (17)Flash Point: 170 °C; (18)Enthalpy of Vaporization: 60.89 kJ/mol; (19)Boiling Point: 333.9 °C at 760 mmHg; (20)Vapour Pressure: 5.23E-05 mmHg at 25°C.

Production method of this chemical: The 2-Butenoic acid, 4-oxo-4-phenyl- could be obtained by the reactants of benzene and maleic acid anhydride. This reaction needs the reagent of AlCl3, and the solvent of CS2. The yield is 60 %. In addition, this reaction should be taken at the temperature of 5 °C.

Uses of this chemical: The 2-Butenoic acid, 4-oxo-4-phenyl- could react with morpholine, and obtain the 2-morpholin-4-yl-4-oxo-4-phenyl-butyric acid. This reaction needs the solvent of toluene, ethanol. The yield is 97 %.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(\C=C\C(=O)O)c1ccccc1
2.InChI: InChI=1/C10H8O3/c11-9(6-7-10(12)13)8-4-2-1-3-5-8/h1-7H,(H,12,13)/b7-6+
3.InChIKey: PLPDHGOODMBBGN-VOTSOKGWBJ

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 250mg/kg (250mg/kg)   United States Patent Document

 

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 583-06-2