4-Butoxy-3-methoxybenzoyl chloride

Base Information

• Chemical Name: 4-Butoxy-3-methoxybenzoyl chloride
• CAS No.: 3535-43-1
• Molecular Formula: C12H15ClO3
• Molecular Weight: 242.702
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID801296913
• Mol file: 3535-43-1.mol

Synonyms:4-BUTOXY-3-METHOXYBENZOYL CHLORIDE;3535-43-1;SCHEMBL11239964;DTXSID801296913;MFCD11941019;AKOS005173248;4-BUTOXY-3-METHOXYBENZOYLCHLORIDE;VS-13850

Chemical Property of 4-Butoxy-3-methoxybenzoyl chloride

Chemical Property:

• Boiling Point: 168-170 °C(Press: 4 Torr)
• PSA: 35.53000
• Density: 1.137±0.06 g/cm3(Predicted)
• LogP: 3.25310
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 242.0709720
• Heavy Atom Count: 16
• Complexity: 220

Purity/Quality:

97% ^*data from raw suppliers

4-BUTOXY-3-METHOXYBENZOYLCHLORIDE ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC1=C(C=C(C=C1)C(=O)Cl)OC

Technology Process of 4-Butoxy-3-methoxybenzoyl chloride

There total 3 articles about 4-Butoxy-3-methoxybenzoyl 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:

3-methoxy-4-hydroxybenzoic acid (121-34-6) → 4-n-butoxy-3-methoxybenzoil chloride (3535-43-1)

Guidance literature:

Multi-step reaction with 2 steps

1: KOH / ethanol; H₂O / 25 h / Heating

2: SOCl₂ / 3 h / Heating

With potassium hydroxide; thionyl chloride; In ethanol; water;

Reference yield:

4-n-butoxy-3-methoxybenzoic acid (3535-34-0) → 4-n-butoxy-3-methoxybenzoil chloride (3535-43-1)

Guidance literature:

With thionyl chloride; for 3h; Heating;

Reference yield:

→ 4-n-butoxy-3-methoxybenzoil chloride (3535-43-1)

Guidance literature:

entspr.Saeure, SOCl2;

upstream raw materials:

4-n-butoxy-3-methoxybenzoic acid

3-methoxy-4-hydroxybenzoic acid

Downstream raw materials:

6β-(4-butoxy-3-methoxy-benzoylamino)-penicillanic acid