Uses
ChemicalBook > CAS DataBase List > 4-(4-METHOXY-2,3,6-TRIMETHYLPHENYL)-BUT-3-EN-2-ONE

4-(4-METHOXY-2,3,6-TRIMETHYLPHENYL)-BUT-3-EN-2-ONE

Uses
Product Name
4-(4-METHOXY-2,3,6-TRIMETHYLPHENYL)-BUT-3-EN-2-ONE
CAS No.
54757-47-0
Chemical Name
4-(4-METHOXY-2,3,6-TRIMETHYLPHENYL)-BUT-3-EN-2-ONE
Synonyms
CHEMBRDG-BB 5229800;Acitretin Impurity 2;4-(4-Methoxy-2,3,6-trimethylphenyl);4-(4-Methoxy-2,3,6-trimethylphenyl)-3-en-2-one;4-(4-Methoxy-2,3,6-trimethyphenyl)-but-3-en-2-one;4-(4-METHOXY-2,3,6-TRIMETHYLPHENYL)-BUT-3-EN-2-ONE;3-Buten-2-one, 4-(4-methoxy-2,3,6-trimethylphenyl)-;4-(4'-methoxy-2',3',6'-trimethylphenyl)-but-3-ene-2-one;(E)-4-(4-METHOXY-2,3,6-TRIMETHYL-PHENYL)-BUT-3-EN-2-ONE
CBNumber
CB3132003
Molecular Formula
C14H18O2
Formula Weight
218.29
MOL File
54757-47-0.mol
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4-(4-METHOXY-2,3,6-TRIMETHYLPHENYL)-BUT-3-EN-2-ONE Property

Melting point:
64-66 °C
Boiling point:
358.7±37.0 °C(Predicted)
Density 
1.006±0.06 g/cm3(Predicted)
storage temp. 
2-8°C
InChI
InChI=1S/C14H18O2/c1-9-8-14(16-5)12(4)11(3)13(9)7-6-10(2)15/h6-8H,1-5H3
InChIKey
NMRRLIHKRCVLLQ-UHFFFAOYSA-N
SMILES
CC(=O)C=CC1=C(C)C=C(OC)C(C)=C1C
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

TRC
Product number
M332495
Product name
4-(4-Methoxy-2,3,6-trimethylphenyl)but-3-en-2-one
Packaging
50mg
Price
$60
Updated
2021/12/16
AK Scientific
Product number
7959AB
Product name
4-(4-Methoxy-2,3,6-trimethylphenyl)but-3-en-2-one
Packaging
100mg
Price
$29
Updated
2021/12/16
American Custom Chemicals Corporation
Product number
CHM0165746
Product name
4-(4-METHOXY-2,3,6-TRIMETHYLPHENYL)-BUT-3-EN-2-ONE
Purity
98.00%
Packaging
5G
Price
$1443.75
Updated
2021/12/16
Alichem
Product number
54757470
Product name
4-(4-Methoxy-2,3,6-trimethylphenyl)but-3-en-2-one
Packaging
5g
Price
$189
Updated
2021/12/16
Crysdot
Product number
CD12062298
Product name
4-(4-Methoxy-2,3,6-trimethylphenyl)but-3-en-2-one
Purity
97%
Packaging
10g
Price
$277
Updated
2021/12/16
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4-(4-METHOXY-2,3,6-TRIMETHYLPHENYL)-BUT-3-EN-2-ONE Chemical Properties,Usage,Production

Uses

4-(4-Methoxy-2,3,6-trimethylphenyl)-3E-buten-2-one is a ketone derivative that can be used as a pharmaceutical intermediate.

Synthesis

54344-92-2

67-64-1

54757-47-0

General procedure for the synthesis of 4-(4-methoxy-2,3,6-trimethylphenyl)-but-3-en-2-one from 4-methoxy-2,3,6-trimethylbenzaldehyde and acetone: Acetone (6000 mL) was added to 4-methoxy-2,3,6-trimethylbenzaldehyde (500.3 g) and the mixture was stirred at 20-30 °C. An aqueous sodium hydroxide solution (134.8 g NaOH dissolved in 500 mL of water) was added gradually and the reaction mixture was heated to 45-50 °C with continuous stirring. The progress of the reaction was monitored by HPLC and upon completion of the reaction, the reaction mixture was cooled and the pH was adjusted with acetic acid to 4.5-5.5. Subsequently, acetone was removed by distillation, cyclohexane was added to the residue, the organic layer was washed with water, the organic layer was separated and concentrated to afford the target product, 4-(4-methoxy-2,3,6-trimethylphenyl)-but-3-en-2-one (Formula II). Yield: 80-84%.

References

[1] Pharmaceutical Research, 1995, vol. 12, # 7, p. 983 - 992
[2] Patent: WO2016/42573, 2016, A1. Location in patent: Page/Page column 8
[3] Phosphorus, Sulfur and Silicon and the Related Elements, 2010, vol. 185, # 3, p. 501 - 508

4-(4-METHOXY-2,3,6-TRIMETHYLPHENYL)-BUT-3-EN-2-ONE Preparation Products And Raw materials

Raw materials

Preparation Products

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4-(4-METHOXY-2,3,6-TRIMETHYLPHENYL)-BUT-3-EN-2-ONE Suppliers

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View Lastest Price from 4-(4-METHOXY-2,3,6-TRIMETHYLPHENYL)-BUT-3-EN-2-ONE manufacturers

Henan Aochuang Chemical Co.,Ltd.
Product
4-(4-METHOXY-2,3,6-TRIMETHYLPHENYL)-BUT-3-EN-2-ONE 54757-47-0
Price
US $0.00-0.00/kg
Min. Order
1kg
Purity
98%
Supply Ability
1Ton
Release date
2022-09-19
Career Henan Chemical Co
Product
4-(4-METHOXY-2,3,6-TRIMETHYLPHENYL)-BUT-3-EN-2-ONE 54757-47-0
Price
US $3.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
100kg
Release date
2019-08-07

54757-47-0, 4-(4-METHOXY-2,3,6-TRIMETHYLPHENYL)-BUT-3-EN-2-ONERelated Search:


  • 4-(4-METHOXY-2,3,6-TRIMETHYLPHENYL)-BUT-3-EN-2-ONE
  • (E)-4-(4-METHOXY-2,3,6-TRIMETHYL-PHENYL)-BUT-3-EN-2-ONE
  • CHEMBRDG-BB 5229800
  • 4-(4-Methoxy-2,3,6-trimethylphenyl)
  • 4-(4'-methoxy-2',3',6'-trimethylphenyl)-but-3-ene-2-one
  • Acitretin Impurity 2
  • 3-Buten-2-one, 4-(4-methoxy-2,3,6-trimethylphenyl)-
  • 4-(4-Methoxy-2,3,6-trimethyphenyl)-but-3-en-2-one
  • 4-(4-Methoxy-2,3,6-trimethylphenyl)-3-en-2-one
  • 54757-47-0
  • C14H18O2