Benzeneacetyl chloride, 2,4,6-tris(1-methylethyl)-

Base Information

• Chemical Name: Benzeneacetyl chloride, 2,4,6-tris(1-methylethyl)-
• CAS No.: 52629-47-7
• Molecular Formula: C17H25ClO
• Molecular Weight: 280.83300
• DSSTox Substance ID: DTXSID90441180
• Wikidata: Q82257822
• Mol file: 52629-47-7.mol

Synonyms:Benzeneacetyl chloride, 2,4,6-tris(1-methylethyl)-;52629-47-7;SCHEMBL8136292;DTXSID90441180;GLIDZXZCSXPQOE-UHFFFAOYSA-N;2,4,6-Triisopropylphenylacetyl chloride

Chemical Property of Benzeneacetyl chloride, 2,4,6-tris(1-methylethyl)-

Chemical Property:

• PSA: 17.07000
• LogP: 5.36470
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 280.1593931
• Heavy Atom Count: 19
• Complexity: 278

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Benzeneacetyl chloride, 2,4,6-tris(1-methylethyl)-

There total 4 articles about Benzeneacetyl chloride, 2,4,6-tris(1-methylethyl)- 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:

2,4,6-triisopropylbenzoyl chloride (57199-00-5) → 2,4,6-triisopropylphenylacetyl chloride (52629-47-7)

Guidance literature:

Multi-step reaction with 5 steps

1: 98 percent / LAH

2: 97 percent / PBr₃ / diethyl ether

3: dimethylsulfoxide

4: aq. H₂SO₄

5: (COCl)2

With lithium aluminium tetrahydride; oxalyl dichloride; sulfuric acid; phosphorus tribromide; In diethyl ether; dimethyl sulfoxide;

DOI:10.1021/jm960674d

Reference yield:

2-(bromomethyl)-1,3,5-triisopropylbenzene (166519-14-8) → 2,4,6-triisopropylphenylacetyl chloride (52629-47-7)

Guidance literature:

Multi-step reaction with 3 steps

1: dimethylsulfoxide

2: aq. H₂SO₄

3: (COCl)2

With oxalyl dichloride; sulfuric acid; In dimethyl sulfoxide;

DOI:10.1021/jm960674d

Reference yield:

2-(2,4,6-triisopropylphenyl)acetic acid (4276-85-1) → 2,4,6-triisopropylphenylacetyl chloride (52629-47-7)

Guidance literature:

With oxalyl dichloride; Yield given;

DOI:10.1021/jm960674d

upstream raw materials:

2-(2,4,6-triisopropylphenyl)acetic acid

2,4,6-triisopropylbenzoyl chloride

2,4,6-triisopropylbenzyl cyanide

2-(bromomethyl)-1,3,5-triisopropylbenzene

Downstream raw materials:

avasimibe

2,4,6-Triisopropyl-4'-methoxydeoxybenzoin

1-phenyl-2-[2,4,6-tris(1-methylethyl)phenyl]ethanone

2,4,6,2',4',6'-hexaisopropyl-deoxybenzoin