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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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
2,6-DIMETHYLSTYRENE
4-METHOXY-2-METHYL-1-VINYL-BENZENE
3,4,5-TRIMETHYLPHENOL