p-Tolylacetyl chloride

Base Information

• Chemical Name: p-Tolylacetyl chloride
• CAS No.: 35675-44-6
• Molecular Formula: C9H9 Cl O
• Molecular Weight: 168.623
• Hs Code.: 2916399090
• European Community (EC) Number: 673-227-1
• DSSTox Substance ID: DTXSID90375274
• Nikkaji Number: J1.181.608H
• Wikidata: Q82163801
• Mol file: 35675-44-6.mol

Synonyms:2-(4-methylphenyl)acetyl chloride;p-tolylacetyl chloride;35675-44-6;P-Tolyl-Acetyl Chloride;p-Tolyl-acetylchloride;MFCD00018813;4-methyl-phenyl-acetyl chloride;starbld0016673;2-p-tolylacetyl chloride;4-methylphenylacetylchloride;p-methylphenylacetyl chloride;2-(4-tolyl)acetyl chloride;4-methylphenylacetyl chloride;SCHEMBL657538;(4-methylphenyl)acetyl chloride;DTXSID90375274;4-methylphenylacetic acid chloride;QDZAWVLWIMOXJT-UHFFFAOYSA-N;2-(4-methylphenyl) acetylchloride;p-Tolyl-acetyl chloride, AldrichCPR;AC5981;AKOS009331134;FS-5135;SY246635;FT-0647626;EN300-1238117;F2146-0479

Chemical Property of p-Tolylacetyl chloride

Chemical Property:

• Vapor Pressure: 0.0388mmHg at 25°C
• Refractive Index: 1.531
• Boiling Point: 240°C at 760 mmHg
• Flash Point: 102.3°C
• PSA: 17.07000
• Density: 1.146g/cm³
• LogP: 2.30290
• Sensitive.: Moisture Sensitive
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 168.0341926
• Heavy Atom Count: 11
• Complexity: 137

Purity/Quality:

97% ^*data from raw suppliers

p-Tolyl-acetylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of p-Tolylacetyl chloride

There total 4 articles about p-Tolylacetyl 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: 100.0%

4-tolylacetic acid (622-47-9) → 4-methylphenylacetyl chloride (35675-44-6)

Guidance literature:

With thionyl chloride; In benzene; Heating;

DOI:10.1016/j.tetasy.2004.11.077

Reference yield: 65.0%

t-butyl p-tolylacetate (33155-60-1) → 4-methylphenylacetyl chloride (35675-44-6)

Guidance literature:

With phosphorus trichloride; In acetonitrile; at 60 ℃; for 6h; Schlenk technique;

DOI:10.1177/1747519819898142

Reference yield: 34.0%

4-(2-chloro-phenyl)-2-methyl-buta-2,3-dienoic acid ethyl ester (1206896-65-2) → C13H12ClFO3 (1206896-66-3) + 4-methylphenylacetyl chloride (35675-44-6)

Guidance literature:

With Selectfluor; In water; acetonitrile; at 80 ℃; for 34.5h; Inert atmosphere;

DOI:10.1039/b917793k

upstream raw materials:

4-tolylacetic acid

4-(2-chloro-phenyl)-2-methyl-buta-2,3-dienoic acid ethyl ester

t-butyl p-tolylacetate

Downstream raw materials:

4,4'-[2-(p-tolyl)ethene-1,1-diyl]bis(methoxybenzene)

1-(4-methoxyphenyl)-2-(4-methylphenyl)ethanone

N,N-dimethyl-2-(p-tolyl)acetamide

1-(4-chlorophenyl)-2-(p-tolyl)ethan-1-one