4-(2-Methylpropoxy)benzeneacetyl chloride

Base Information

• Chemical Name: 4-(2-Methylpropoxy)benzeneacetyl chloride
• CAS No.: 639863-90-4
• Molecular Formula: C₁₂H₁₅ClO₂
• Molecular Weight: 226.703
• DSSTox Substance ID: DTXSID501273251
• Mol file: 639863-90-4.mol

Synonyms:SCHEMBL3940925;DTXSID501273251;4-(2-Methylpropoxy)benzeneacetyl chloride;639863-90-4

Chemical Property of 4-(2-Methylpropoxy)benzeneacetyl chloride

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 226.0760574
• Heavy Atom Count: 15
• Complexity: 196

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)COC1=CC=C(C=C1)CC(=O)Cl

Technology Process of 4-(2-Methylpropoxy)benzeneacetyl chloride

There total 3 articles about 4-(2-Methylpropoxy)benzeneacetyl 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%

2-[4-(2-methylpropoxy)phenyl]acetic acid (13362-94-2) → 2-[4-(2-methylpropoxy)phenyl]acetyl chloride (639863-90-4)

Guidance literature:

With thionyl chloride; In dichloromethane; at 20 ℃; for 18h;

Reference yield:

Methyl 4-hydroxyphenylacetate (14199-15-6) → 2-[4-(2-methylpropoxy)phenyl]acetyl chloride (639863-90-4)

Guidance literature:

Multi-step reaction with 3 steps

1.1: potassium carbonate / N,N-dimethyl-formamide / 1 h / 20 °C

1.2: 72 h / 80 °C

2.1: sodium hydroxide; water / methanol / 16 h / 20 °C

3.1: thionyl chloride / 10 h / 70 °C

With thionyl chloride; water; potassium carbonate; sodium hydroxide; In methanol; N,N-dimethyl-formamide;

Reference yield:

2-(4-isobutyloxyphenyl)acetic acid methyl ester → 2-[4-(2-methylpropoxy)phenyl]acetyl chloride (639863-90-4)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydroxide; water / methanol / 16 h / 20 °C

2: thionyl chloride / 10 h / 70 °C

With thionyl chloride; water; sodium hydroxide; In methanol;

upstream raw materials:

Methyl 4-hydroxyphenylacetate

2-[4-(2-methylpropoxy)phenyl]acetic acid

Downstream raw materials:

1-(isocyanatomethyl)-4-(2-methylpropoxy)benzene

Refernces

• 1、 -. "COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES". Paragraph 00258-00259. . Retrieved 2019/03/12.
• 2、 -. "Preparation method of 5-HT2A inverse agonist ACP-103". . . Retrieved 2016/10/10.