2-Mesitylacetyl chloride

Base Information

• Chemical Name: 2-Mesitylacetyl chloride
• CAS No.: 52629-46-6
• Molecular Formula: C11H13ClO
• Molecular Weight: 196.677
• Hs Code.: 2915900090
• European Community (EC) Number: 462-070-2,610-879-8
• DSSTox Substance ID: DTXSID201285261
• Nikkaji Number: J1.708.081D
• Mol file: 52629-46-6.mol

Synonyms:2-Mesitylacetyl chloride;52629-46-6;MESITYLACETYL CHLORIDE;2-(2,4,6-trimethylphenyl)acetyl Chloride;2,4,6-Trimethylphenylacetic chloride;2,4,6-TRIMETHYLBENZENEACETYL CHLORIDE;2-Mesitylacetylchloride;mesityleneacetyl chloride;MESITYLACETICACID;mesitylene acetyl chloride;SCHEMBL37165;NXCYVLQDRHQRHC-UHFFFAOYSA-N;DTXSID201285261;2,4,6-Trimethyl phenyl acetic chloride;(2,4,6-trimethylphenyl)-acetyl chloride;(2,4,6-trimethyl-phenyl)-acetyl chloride;(2,4,6-Trimethylphenyl)acetic acid chloride;2,4,6-TRIMETHYLPHENYLACETYL CHLORIDE;FT-0652789;E70361;A829178

Chemical Property of 2-Mesitylacetyl chloride

Chemical Property:

• Vapor Pressure: 0.003mmHg at 25°C
• Melting Point: 167-168 °C
• Refractive Index: 1.526
• Boiling Point: 282.041 °C at 760 mmHg
• Flash Point: 126.577 °C
• PSA: 37.30000
• Density: 1.095 g/cm³
• LogP: 2.23890
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 196.0654927
• Heavy Atom Count: 13
• Complexity: 179

Purity/Quality:

98% ^*data from raw suppliers

2-MesitylacetylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 22-24/25

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1)C)CC(=O)Cl)C

Technology Process of 2-Mesitylacetyl chloride

There total 8 articles about 2-Mesitylacetyl chloride 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:

2-mesitylacetic acid (4408-60-0) → (2,4,6-trimethyl-phenyl)acetyl chloride (52629-46-6)

Guidance literature:

With thionyl chloride;

DOI:10.1021/ja01165a070 DOI:10.1021/ja01298a041

Reference yield:

mesitylacetonitrile (34688-71-6) → (2,4,6-trimethyl-phenyl)acetyl chloride (52629-46-6)

Guidance literature:

Multi-step reaction with 2 steps

1: KOH / ethane-1,2-diol / 6 h / 155 °C

2: PCl₃

With potassium hydroxide; phosphorus trichloride; In ethylene glycol;

Reference yield:

2-chloromethyl-1,3,5-trimethylbenzene (1585-16-6) → (2,4,6-trimethyl-phenyl)acetyl chloride (52629-46-6)

Guidance literature:

Multi-step reaction with 3 steps

1: dimethylsulfoxide / Heating

2: KOH / ethane-1,2-diol / 6 h / 155 °C

3: PCl₃

With potassium hydroxide; phosphorus trichloride; In ethylene glycol; dimethyl sulfoxide;

upstream raw materials:

2-mesitylacetic acid

mesitylacetonitrile

2-chloromethyl-1,3,5-trimethylbenzene

2,4,6-trimethylmandelic acid

Downstream raw materials:

ethyl 2,4,6-trimethylphenylacetate

3'-bromo-2,4,6,2',4',6'-hexamethyl-deoxybenzoin

2,4,6-tribromomesitylene

N,N-diisopropyl-2-(2,4,6-trimethylphenyl)ethanamide