3-Methoxyphenylglyoxal

Base Information

• Chemical Name: 3-Methoxyphenylglyoxal
• CAS No.: 32025-65-3
• Molecular Formula: C9H8O3
• Molecular Weight: 164.161
• Hs Code.: 2914509090
• DSSTox Substance ID: DTXSID70185853
• Nikkaji Number: J3.144.483G
• Wikidata: Q83056991
• Mol file: 32025-65-3.mol

Synonyms:3-methoxyphenylglyoxal;meta-methoxyphenylglyoxal

Chemical Property of 3-Methoxyphenylglyoxal

Chemical Property:

• Vapor Pressure: 0.00981mmHg at 25°C
• Melting Point: 99-100°C
• Refractive Index: 1.518
• Boiling Point: 264.3 °C at 760 mmHg
• Flash Point: 113.5 °C
• PSA: 52.60000
• Density: 1.153 g/cm³
• LogP: 1.01250
• 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: 177

Purity/Quality:

99% ^*data from raw suppliers

(3-Methoxyphenyl)glyoxal ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Methoxyphenylglyoxal

There total 4 articles about 3-Methoxyphenylglyoxal 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: 74.0%

2-bromo-3'-methoxyacetophenone (5000-65-7) → 3-methoxyphenylglyoxal (32025-65-3)

Guidance literature:

In water; dimethyl sulfoxide; at 20 ℃;

DOI:10.1016/j.bmcl.2017.06.078

Reference yield:

→ 3-methoxyphenylglyoxal (32025-65-3)

Guidance literature:

DOI:10.1021/jo00424a040

Reference yield:

2-hydroxy-3'-methoxyacetophenone (87428-52-2) → 3-methoxyphenylglyoxal (32025-65-3)

Guidance literature:

2-hydroxy-1-(3-methoxyphenyl)ethan-1-one; With copper(I) tetrakis(acetonitrile) hexafluorophosphate; for 0.5h; Molecular sieve; Schlenk technique;

With pyridine; oxygen; In methanol; at 20 ℃; for 0.5h; under 760.051 Torr; Schlenk technique; Molecular sieve;

DOI:10.1039/d2cc00773h

upstream raw materials:

2-bromo-3'-methoxyacetophenone

2-hydroxy-3'-methoxyacetophenone

3-methoxy-benzaldehyde

Downstream raw materials:

ethyl (E)-4-(3-methoxyphenyl)-4-oxo-2-butenoate

2,2-diethoxy-1-(3-methoxyphenyl)ethan-1-one

Refernces

• 1、 Usui, Yoshihiro,Uehara, Fumiaki,Hiki, Shinsuke,Watanabe, Kazutoshi,Tanaka, Hiroshi,Shouda, Aya,Yokoshima, Satoshi,Aritomo, Keiichi,Adachi, Takashi,Fukunaga, Kenji,Sunada, Shinji,Nabeno, Mika,Saito, Ken-Ichi,Eguchi, Jun-ichi,Yamagami, Keiji,Asano, Shouichi,Tanaka, Shinji,Yuki, Satoshi,Yoshii, Narihiko,Fujimura, Masatake,Horikawa, Takashi. "Discovery of novel 2-(3-phenylpiperazin-1-yl)-pyrimidin-4-ones as glycogen synthase kinase-3β inhibitors". . p. 3726 - 3732. Retrieved 2017/07/27.