4-[(4-Methylbenzyl)oxy]benzoyl chloride

Base Information

• Chemical Name: 4-[(4-Methylbenzyl)oxy]benzoyl chloride
• CAS No.: 62290-55-5
• Molecular Formula: C15H13ClO2
• Molecular Weight: 260.71600
• DSSTox Substance ID: DTXSID20554792
• Wikidata: Q82435960
• Mol file: 62290-55-5.mol

Synonyms:4-[(4-METHYLBENZYL)OXY]BENZOYL CHLORIDE;62290-55-5;4-[(4-methylphenyl)methoxy]benzoyl chloride;4-((4-Methylbenzyl)oxy)benzoyl chloride;DTXSID20554792;MFCD12197951;AKOS005173128;4-((4-Methylbenzyl)oxy)benzoylchloride;4-(4-Methyl-benzyloxy)-benzoyl chloride;VS-13907

Chemical Property of 4-[(4-Methylbenzyl)oxy]benzoyl chloride

Chemical Property:

• Boiling Point: 398.3±22.0 °C(Predicted)
• PSA: 26.30000
• Density: 1.202±0.06 g/cm3(Predicted)
• LogP: 3.95300
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 260.0604073
• Heavy Atom Count: 18
• Complexity: 264

Purity/Quality:

98%min ^*data from raw suppliers

4-[(4-Methylbenzyl)oxy]benzoyl chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)Cl

Technology Process of 4-[(4-Methylbenzyl)oxy]benzoyl chloride

There total 5 articles about 4-[(4-Methylbenzyl)oxy]benzoyl 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:

4-((4-methylbenzyl)oxy)benzoic acid (56442-19-4) → p-(4'-Methylbenzyloxy)benzoylchlorid (62290-55-5)

Guidance literature:

With oxalyl dichloride; N,N-dimethyl-formamide; In tetrahydrofuran; at 20 ℃;

DOI:10.1021/ci300615u

Reference yield:

methyl 4-hydroxylbenzoate (99-76-3,156291-94-0) → p-(4'-Methylbenzyloxy)benzoylchlorid (62290-55-5)

Guidance literature:

Multi-step reaction with 3 steps

1.1: potassium carbonate / acetone / 5 h / 65 - 80 °C

2.1: sodium hydroxide; water / methanol / 2 h / 75 °C

2.2: pH 5

3.1: pyridine; thionyl chloride / toluene / 6 h / 72 °C

With pyridine; thionyl chloride; water; potassium carbonate; sodium hydroxide; In methanol; acetone; toluene;

DOI:10.1039/c5md00092k

Reference yield:

4-Methylbenzyl bromide (104-81-4) → p-(4'-Methylbenzyloxy)benzoylchlorid (62290-55-5)

Guidance literature:

Multi-step reaction with 3 steps

1.1: potassium carbonate / acetone / 5 h / 65 - 80 °C

2.1: sodium hydroxide; water / methanol / 2 h / 75 °C

2.2: pH 5

3.1: pyridine; thionyl chloride / toluene / 6 h / 72 °C

With pyridine; thionyl chloride; water; potassium carbonate; sodium hydroxide; In methanol; acetone; toluene;

DOI:10.1039/c5md00092k

upstream raw materials:

4-((4-methylbenzyl)oxy)benzoic acid

methyl 4-hydroxylbenzoate

4-Methylbenzyl bromide

4-(4-Methyl-benzyloxy)-benzoic acid methyl ester

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