4-METHOXYBENZALACETONE

Base Information

• Chemical Name: 4-METHOXYBENZALACETONE
• CAS No.: 3815-30-3
• Molecular Formula: C11H12 O2
• Molecular Weight: 176.215
• European Community (EC) Number: 213-404-9,624-386-0
• NSC Number: 31752,7946
• UNII: 79U9LYF10I
• DSSTox Substance ID: DTXSID9061338,DTXSID301282472
• Nikkaji Number: J1.164.876B,J408.820D,J7.181A
• Wikidata: Q27266778
• Metabolomics Workbench ID: 143472
• ChEMBL ID: CHEMBL72155
• Mol file: 3815-30-3.mol

Synonyms:3-Buten-2-one,4-(4-methoxyphenyl)-, (E)-; 3-Buten-2-one, 4-(p-methoxyphenyl)-, trans- (8CI);(2E)-4-(4-Methoxyphenyl)-3-buten-2-one; (3E)-4-(4-Methoxyphenyl)-3-buten-2-one;(E)-4-(4-Methoxyphenyl)but-3-en-2-one; (E)-4-(p-Methoxyphenyl)-3-buten-2-one;4-(4-Methoxyphenyl)-(3E)-buten-2-one; trans-(4-Methoxybenzylidene)acetone

Chemical Property of 4-METHOXYBENZALACETONE

Chemical Property:

• Melting Point: 72-74 °C
• Boiling Point: 319.8°Cat760mmHg
• Flash Point: 148.3°C
• PSA: 26.30000
• Density: 1.048g/cm³
• LogP: 2.29740
• Storage Temp.: 2-8°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 176.083729621
• Heavy Atom Count: 13
• Complexity: 188

Purity/Quality:

97% ^*data from raw suppliers

4-(4-Methoxyphenyl)-3-buten-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C=CC1=CC=C(C=C1)OC
• Isomeric SMILES: CC(=O)/C=C/C1=CC=C(C=C1)OC

Technology Process of 4-METHOXYBENZALACETONE

There total 63 articles about 4-METHOXYBENZALACETONE which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.0%

4-methoxy-benzaldehyde (123-11-5) + acetone (67-64-1) → 4-(4-methoxyphenyl)-3-buten-2-one (3815-30-3)

Guidance literature:

With sodium hydroxide; In water; at 5 - 10 ℃; for 2h;

DOI:10.1081/SCC-200048425

Reference yield: 97.0%

para-iodoanisole (696-62-8) + methyl vinyl ketone (78-94-4,25038-87-3) → 4-(4-methoxyphenyl)-3-buten-2-one (3815-30-3)

Guidance literature:

With tetrabutyl-ammonium chloride; sodium hydrogencarbonate; palladium diacetate; In N,N-dimethyl-formamide; at 25 ℃; for 72h;

DOI:10.1039/c39840001287

Reference yield: 96.0%

4-(4-methoxyphenyl)-2-butanone (104-20-1) → 4-(4-methoxyphenyl)-3-buten-2-one (3815-30-3)

Guidance literature:

With oxygen; palladium diacetate; trifluoroacetic acid; In dimethyl sulfoxide; at 80 ℃; for 7h; Sealed tube;

DOI:10.1002/adsc.201801058

upstream raw materials:

6t-(4-methoxy-phenyl)-2,4-dioxo-hex-5-enoic acid ethyl ester

(E)-4-chloro-3-buten-2-one

methoxybenzene

4-Hydroxy-4-(4-methoxy-phenyl)-1-(triphenyl-λ⁵-phosphanylidene)-butan-2-one

Downstream raw materials:

isonicotinic acid-[3t-(4-methoxy-phenyl)-1-methyl-allylidenehydrazide]

4-hydroxy-3-[1-(4-methoxy-phenyl)-3-oxo-butyl]-7-methyl-coumarin

4-(4-hydroxy-3-methyl-phenyl)-4-(4-methoxy-phenyl)-butan-2-one

4-(2-hydroxy-3-methyl-phenyl)-4-(4-methoxy-phenyl)-butan-2-one

Refernces

• 1、 Pan, Gao-Fei,Wang, Zhe,Chang, Yi-Yuan,Hao, Yue,Wang, Yi-Chen,Xing, Rui-Guang. "An efficient Pd@Pro-GO heterogeneous catalyst for the α, β-dehydrogenation of saturated aldehyde and ketones". supporting information. . Retrieved 2021/12/30.
• 2、 He, Wenfei,Wang, Jingsong,Jin, Qiling,Zhang, Jiafeng,Liu, Yugang,Jin, Zewu,Wang, Hua,Hu, Linya,Zhu, Lu,Shen, Mengya,Huang, Lili,Huang, Shengwei,Li, Wulan,Zhuge, Qichuan,Wu, Jianzhang. "Design, green synthesis, antioxidant activity screening, and evaluation of protective effect on cerebral ischemia reperfusion injury of novel monoenone monocarbonyl curcumin analogs". . . Retrieved 2021/07/06.