2-(4-Methoxyphenyl)-2-oxoacetaldehyde

Base Information

• Chemical Name: 2-(4-Methoxyphenyl)-2-oxoacetaldehyde
• CAS No.: 1076-95-5
• Molecular Formula: C9H8 O3
• Molecular Weight: 164.161
• European Community (EC) Number: 214-067-0
• NSC Number: 81588
• UNII: 0IE1619UGN
• DSSTox Substance ID: DTXSID8061474
• Nikkaji Number: J217.198H
• Wikidata: Q81989490
• Mol file: 1076-95-5.mol

Synonyms:4-methoxyphenylglyoxal;para-methoxyphenylglyoxal

Chemical Property of 2-(4-Methoxyphenyl)-2-oxoacetaldehyde

Chemical Property:

• Vapor Pressure: 0.00921mmHg at 25°C
• Boiling Point: 265.3°Cat760mmHg
• Flash Point: 114.1°C
• Density: 1.153g/cm³
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 164.047344113
• Heavy Atom Count: 12
• Complexity: 169

Purity/Quality:

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

2-(4-Methoxyphenyl)-2-oxoacetaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C(=O)C=O

Technology Process of 2-(4-Methoxyphenyl)-2-oxoacetaldehyde

There total 21 articles about 2-(4-Methoxyphenyl)-2-oxoacetaldehyde 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: 100.0%

1-(4-methoxyphenyl)ethanone (100-06-1) → p-methoxyphenylglyoxal (1076-95-5)

Guidance literature:

With selenium (IV) oxide; In 1,4-dioxane; water; Heating;

DOI:10.1016/j.bmcl.2008.02.037

Reference yield: 100.0%

2-Bromo-4'-methoxyacetophenone (2632-13-5) → p-methoxyphenylglyoxal (1076-95-5)

Guidance literature:

With dimethyl sulfoxide; In water; at 50 ℃; for 2.5h;

Reference yield: 90.0%

1,2-dimethoxybenzene (91-16-7) + 4-methoxyphenylacetylen (768-60-5) → p-methoxyphenylglyoxal (1076-95-5)

Guidance literature:

With 8-methylquinoline 1-oxide; chloro[2-(di-1-adamantylphosphino)phenyl-piperidine]gold(I); silver(I) triflimide; In 1,2-dichloro-ethane; at 60 ℃; for 24h;

DOI:10.1039/d1ob01507a

upstream raw materials:

1-(4-methoxyphenyl)ethanone

chloroform

1-(4-methoxyphenyl)-3-phenylpropane-1,3-dione

2-chloro-1-(4-methoxyphenyl)ethanone

Downstream raw materials:

7-(p-methoxyphenyl)-4(3H)-pteridinone

1-Methoxy-4-(α-hydroxy-α-benzamino-acetyl)-benzol

1-Methoxy-4-<α-hydroxy-α-(p-toluolsulfonylamino)-acetyl>-benzol

1-Methoxy-4-(α-hydroxy-α-thioacetamino-acetyl)-benzol

Refernces

• 1、 Karrer,v.Segesser. "-". . p. 273. Retrieved 1935.
• 2、 Chan, Susanna T. S.,Patel, Paresma R.,Ransom, Tanya R.,Henrich, Curtis J.,Mckee, Tawnya C.,Goey, Andrew K. L.,Cook, Kristina M.,Figg, William D.,Mcmahon, James B.,Schnermann, Martin J.,Gustafson, Kirk R.. "Structural elucidation and synthesis of eudistidine A: An unusual polycyclic marine alkaloid that blocks interaction of the protein binding domains of p300 and HIF-1α". . p. 5569 - 5575. Retrieved 2015.
• 3、 Kuzu, Burak,Tan, Meltem,Gül?in, ?lhami,Menges, Nurettin. "A novel class for carbonic anhydrases inhibitors and evaluation of their non-zinc binding". . . Retrieved 2021/06/09.
• 4、 Jeong, Hye-Min,Nam, Dong Guk,Ryu, Do Hyun,Shim, Su Yong. "Catalytic Asymmetric Darzens-Type Epoxidation of Diazoesters: Highly Enantioselective Synthesis of Trisubstituted Epoxides". supporting information. p. 22236 - 22240. Retrieved 2021/09/13.