4-Isopropoxybenzoyl chloride

Base Information

• Chemical Name: 4-Isopropoxybenzoyl chloride
• CAS No.: 36823-82-2
• Molecular Formula: C10H11ClO2
• Molecular Weight: 198.649
• Hs Code.: 2918990090
• European Community (EC) Number: 253-229-5
• UNII: 0T7FP3MOM3
• DSSTox Substance ID: DTXSID40190292
• Nikkaji Number: J332.363C
• Wikidata: Q83062631
• Mol file: 36823-82-2.mol

Synonyms:4-(propan-2-yloxy)benzoyl chloride;4-(1-methylethoxy)benzoyl;4-iso-propoxy-benzoyl chloride;4-[(1-methylethyl)oxy]benzoyl chloride;p-isopropoxybenzoyl chloride;EINECS 253-229-5;4-Isopropoxy-benzoylchlorid;

Chemical Property of 4-Isopropoxybenzoyl chloride

Chemical Property:

• Vapor Pressure: 0.00259mmHg at 25°C
• Boiling Point: 286.8°C at 760 mmHg
• Flash Point: 106.8°C
• PSA: 26.30000
• Density: 1.146g/cm³
• LogP: 2.85280
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 198.0447573
• Heavy Atom Count: 13
• Complexity: 172

Purity/Quality:

98%min ^*data from raw suppliers

4-IsopropoxybenzoylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OC1=CC=C(C=C1)C(=O)Cl

Technology Process of 4-Isopropoxybenzoyl chloride

There total 5 articles about 4-Isopropoxybenzoyl 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: 94.0%

4-isopropoxybenzoic acid (13205-46-4) → 4-isopropoxybenzoyl chloride (36823-82-2)

Guidance literature:

With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; at 20 ℃; for 3h;

Reference yield:

Ethyl 4-hydroxybenzoate (120-47-8) → 4-isopropoxybenzoyl chloride (36823-82-2)

Guidance literature:

Multi-step reaction with 3 steps

1: sodium ethylate; ethanol

2: ethanolic KOH-solution

3: phosphorus (V)-chloride

With potassium hydroxide; ethanol; phosphorus pentachloride; sodium ethanolate;

DOI:10.1021/ja01259a062

Reference yield:

ethyl 4-isopropoxybenzoate (122488-52-2) → 4-isopropoxybenzoyl chloride (36823-82-2)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanolic KOH-solution

2: phosphorus (V)-chloride

With potassium hydroxide; phosphorus pentachloride;

DOI:10.1021/ja01259a062

upstream raw materials:

4-isopropoxybenzoic acid

Ethyl 4-hydroxybenzoate

ethyl 4-isopropoxybenzoate

4-hydroxy-benzoic acid

Downstream raw materials:

N-Benzothiazol-2-yl-4-isopropoxy-benzamide