2-Hydroxy-1,2-bis(3-methoxyphenyl)ethanone

Base Information

• Chemical Name: 2-Hydroxy-1,2-bis(3-methoxyphenyl)ethanone
• CAS No.: 6706-95-2
• Molecular Formula: C16H16 O4
• Molecular Weight: 272.301
• Hs Code.: 2914509090
• NSC Number: 26662
• DSSTox Substance ID: DTXSID80282584
• Nikkaji Number: J218.163K
• Mol file: 6706-95-2.mol

Synonyms:2-hydroxy-1,2-bis(3-methoxyphenyl)ethanone;6706-95-2;3,3'-Dimethoxybenzoin;Ethanone,2-hydroxy-1,2-bis(3-methoxyphenyl)-;m-Anisoin;NSC26662;SCHEMBL10353521;DTXSID80282584;CZOPVKGENSIFOT-UHFFFAOYSA-N;NSC-26662

Chemical Property of 2-Hydroxy-1,2-bis(3-methoxyphenyl)ethanone

Chemical Property:

• Vapor Pressure: 3.23E-08mmHg at 25°C
• Boiling Point: 431.6°C at 760 mmHg
• Flash Point: 159°C
• PSA: 55.76000
• Density: 1.194g/cm³
• LogP: 2.62010
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 272.10485899
• Heavy Atom Count: 20
• Complexity: 318

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC(=C1)C(C(=O)C2=CC(=CC=C2)OC)O

Technology Process of 2-Hydroxy-1,2-bis(3-methoxyphenyl)ethanone

There total 5 articles about 2-Hydroxy-1,2-bis(3-methoxyphenyl)ethanone 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%

3-methoxy-benzaldehyde (591-31-1) → 3,3'-dimethoxybenzoin (6706-95-2)

Guidance literature:

With 3-mesityl-4,5-dimethyloxazol-3-ium tetraphenylborate; 1,8-diazabicyclo[5.4.0]undec-7-ene; In toluene; at 20 ℃; for 1h; Schlenk technique; Inert atmosphere;

DOI:10.1021/acs.orglett.8b02636

Reference yield: 96.0%

3,3'-dimethoxybenzil (40101-17-5) → 3,3'-dimethoxybenzoin (6706-95-2)

Guidance literature:

With sodium dithionite; sodium carbonate; racemic thiourea-based bifunctional organocatalyst; In diethyl ether; water; at 20 ℃; for 48h;

DOI:10.1039/b618792g

Reference yield: 43.0%

methyl 3-methoxybenzoate (5368-81-0) → 3,3'-dimethoxybenzoin (6706-95-2)

Guidance literature:

methyl 3-methoxybenzoate; With naphthalene; lithium; In tetrahydrofuran; at -78 - 20 ℃; for 1h; Inert atmosphere;

With chloro-trimethyl-silane; In tetrahydrofuran; at 0 - 20 ℃; for 0.5h; Inert atmosphere;

upstream raw materials:

3-methoxy-benzaldehyde

3,3'-dimethoxybenzil

3-Methoxybenzoic acid

methyl 3-methoxybenzoate

Downstream raw materials:

3,3'-dimethoxybenzil

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

3,3'-Dimethoxybenzoin phosphate

(3-{2-[4,5-Bis-(3-methoxy-phenyl)-oxazol-2-yl]-ethyl}-phenoxy)-acetic acid methyl ester