o-Anisalacetone

Base Information

• Chemical Name: o-Anisalacetone
• CAS No.: 10542-87-7
• Molecular Formula: C₁₁H₁₂O₂
• Molecular Weight: 176.215
• Mol file: 10542-87-7.mol

Synonyms:o-anisalacetone;3-Buten-2-one, 4-(2-methoxyphenyl)-, (3E)-;o-methoxybenzylidene acetone;AKOS017414340;4-(2-Methoxy-phenyl)-but-3-en-2-one

Chemical Property of o-Anisalacetone

Chemical Property:

• Vapor Pressure: 0.000891mmHg at 25°C
• Melting Point: 48-50 °C
• Boiling Point: 304.1°Cat760mmHg
• Flash Point: 137.3°C
• PSA: 26.30000
• Density: 1.048g/cm³
• LogP: 2.29740
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 176.083729621
• Heavy Atom Count: 13
• Complexity: 196

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C=CC1=CC=CC=C1OC

Technology Process of o-Anisalacetone

There total 26 articles about o-Anisalacetone 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%

ortho-anisaldehyde (135-02-4) + acetone (67-64-1) → 2-methoxybenzalacetone (60438-50-8,10542-87-7)

Guidance literature:

With sodium hydroxide; for 72h; Ambient temperature;

DOI:10.1021/jm00097a001

Reference yield: 88.0%

C18H20O2 → 2-methoxybenzalacetone (60438-50-8,10542-87-7)

Guidance literature:

With water; iodine; In 1,4-dioxane; for 24h; Reflux;

DOI:10.1039/d0ra02625e

Reference yield: 87.0%

ortho-anisaldehyde (135-02-4) + acetone (67-64-1) → (E)-4-(2-methoxyphenyl)but-3-en-2-one (10542-87-7,60438-50-8)

Guidance literature:

With sodium hydroxide; In water; at 40 ℃; for 15h;

DOI:10.1021/jo100785w

upstream raw materials:

(E)-4-(2-hydroxyphenyl)but-3-en-2-one

ortho-anisaldehyde

acetone

4c-(2-hydroxy-phenyl)-but-3-en-2-one

Downstream raw materials:

4-(o-methoxyphenyl)-butan-2-one

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

(E)-4-(2-Methoxy-phenyl)-but-3-enoic acid methyl ester

1-(2-methoxyphenyl)-3-trimethylsiloxy-1,3-butadiene

Refernces

• 1、 He, Yan-Hong,He, Tao,Guo, Jun-Tao,Li, Rui,Xiang, Yang,Yang, Da-Cheng,Guan, Zhi. "Enzyme-catalyzed domino reaction: Efficient construction of spirocyclic oxindole skeleton using porcine pepsin". . p. 2239 - 2248. Retrieved 2016.
• 2、 Okamura, Toshitaka,Koyamada, Kenta,Kanazawa, Junichiro,Miyamoto, Kazunori,Iwabuchi, Yoshiharu,Uchiyama, Masanobu,Kanoh, Naoki. "Synthetic Access to gem-Difluoropropargyl Vinyl Ethers and Their Application to Propargyl Claisen Rearrangement". . p. 1911 - 1924. Retrieved 2021.
• 3、 Chen, Gaozhi,Xiao, Bing,Chen, Lingfeng,Bai, Bin,Zhang, Yali,Xu, Zheng,Fu, Lili,Liu, Zhiguo,Li, Xiaokun,Zhao, Yunjie,Liang, Guang. "Discovery of new MD2-targeted anti-inflammatory compounds for the treatment of sepsis and acute lung injury". . p. 726 - 740. Retrieved 2017.
• 4、 Poole, Hailey,Gauthier, Jeremy,Vanderveen, Jesse R.,Jessop, Philip G.,Lee, Roland. "Use of a switchable-hydrophilicity solvent as both a solvent and a catalyst in aldol condensation". . p. 6263 - 6267. Retrieved 2019.
• 5、 -. "Piperlongumine derivative as well as preparation method and application thereof". Paragraph 0033; 0040; 0064-0067. . Retrieved 2021/01/28.