1-(3,4-Dimethoxyphenyl)-2-phenylethanone

Base Information

• Chemical Name: 1-(3,4-Dimethoxyphenyl)-2-phenylethanone
• CAS No.: 3141-93-3
• Molecular Formula: C16H16O3
• Molecular Weight: 256.301
• Hs Code.: 2914509090
• DSSTox Substance ID: DTXSID10350422
• Nikkaji Number: J781.895E
• Wikidata: Q82126361
• ChEMBL ID: CHEMBL1301266
• Mol file: 3141-93-3.mol

Synonyms:1-(3,4-dimethoxyphenyl)-2-phenylethanone;3141-93-3;3',4'-Dimethoxy-2-phenylacetophenone;1-(3,4-dimethoxyphenyl)-2-phenylethan-1-one;MLS000699529;SMR000230287;1-(3,4-dimethoxyphenyl)-2-phenyl-ethanone;Maybridge3_003079;3,4-dimethoxydesoxybenzoin;Oprea1_344944;cid_678663;SCHEMBL1515747;CHEMBL1301266;BDBM46477;DTXSID10350422;PCHUBNOSEWYQAT-UHFFFAOYSA-N;HMS1439L21;HMS2535E08;CCG-42356;AKOS004117477;IDI1_014466;WS-02481;CS-0314927;FT-0600544;F31372;A820843;AQ-917/41718245;SR-01000632362-1;BRD-K58028664-001-07-9

Chemical Property of 1-(3,4-Dimethoxyphenyl)-2-phenylethanone

Chemical Property:

• Vapor Pressure: 1.53E-06mmHg at 25°C
• Melting Point: 87 °C
• Refractive Index: 1.558
• Boiling Point: 398°Cat760mmHg
• Flash Point: 186.1°C
• PSA: 35.53000
• Density: 1.115g/cm³
• LogP: 3.12920
• Storage Temp.: 2-8°C
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 256.109944368
• Heavy Atom Count: 19
• Complexity: 284

Purity/Quality:

99% ^*data from raw suppliers

1-(3,4-Dimethoxyphenyl)-2-phenylethanone 95+% ^*data from reagent suppliers

Safty Information:

• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C(=O)CC2=CC=CC=C2)OC

Technology Process of 1-(3,4-Dimethoxyphenyl)-2-phenylethanone

There total 19 articles about 1-(3,4-Dimethoxyphenyl)-2-phenylethanone 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: 92.9%

1,2-dimethoxybenzene (91-16-7) + phenylacetyl chloride (103-80-0) → 4',5'-dimethoxydeoxybenzoin (3141-93-3)

Guidance literature:

With aluminium trichloride; at 20 ℃; for 0.666667h;

DOI:10.3987/com-06-10853

Reference yield: 90.0%

bromobenzene (108-86-1,52753-63-6) + 1-(3,4-dimethoxyphenyl)ethanone (1131-62-0) → 4',5'-dimethoxydeoxybenzoin (3141-93-3)

Guidance literature:

With FibreCat^TM 1000-D₇; sodium t-butanolate; In tetrahydrofuran; at 85 ℃; for 6h;

DOI:10.1016/j.tet.2003.12.065

Reference yield: 89.0%

jones reagent + 1-(3,4-Dimethoxyphenyl)-2-phenylethanol (3864-15-1) → 4',5'-dimethoxydeoxybenzoin (3141-93-3)

Guidance literature:

In acetone;

upstream raw materials:

phenylacetic acid

1,2-dimethoxybenzene

veratramide

benzylmagnesium chloride

Downstream raw materials:

(3,4-dimethoxy-bibenzyl-α-yl)-methyl-amine

N-<1-(3,4-dimethoxyphenyl)-2-phenylethyl>formamide

4,5-dimethoxy-1-(4-methylphenylsulfonamido)-2-(2-phenylacetyl)benzene

2-(1-hydroxy-2-phenylethyl)-4,5-dimethoxy-1-(4-methylphenylsulfonamido)benzene

Refernces

• 1、 Li, Zhirong,Peng, Yonggang,Wu, Tao. "Palladium-catalyzed denitrative α-arylation of ketones with nitroarenes". supporting information. . Retrieved 2021/02/16.
• 2、 Ding, Ya,Zhang, Wenkai,Li, Hao,Meng, Yunge,Zhang, Te,Chen, Qiu-Yun,Zhu, Chunyin. "Metal-free synthesis of ketones by visible-light induced aerobic oxidative radical addition of aryl hydrazines to alkenes". supporting information. p. 2941 - 2944. Retrieved 2017/07/24.