1-(4-Butoxyphenyl)propan-1-one

Base Information

• Chemical Name: 1-(4-Butoxyphenyl)propan-1-one
• CAS No.: 5736-90-3
• Molecular Formula: C13H18O2
• Molecular Weight: 206.285
• Hs Code.: 2914509090
• DSSTox Substance ID: DTXSID30462995
• Nikkaji Number: J1.910.355B
• Wikidata: Q82287688
• Mol file: 5736-90-3.mol

Synonyms:1-(4-butoxyphenyl)propan-1-one;5736-90-3;SCHEMBL10040898;DTXSID30462995;MFCD02176687;AKOS000201894;VS-05365

Chemical Property of 1-(4-Butoxyphenyl)propan-1-one

Chemical Property:

• PSA: 26.30000
• LogP: 3.45820
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 206.130679813
• Heavy Atom Count: 15
• Complexity: 181

Purity/Quality:

98%min ^*data from raw suppliers

1-(4-Butoxyphenyl)propan-1-one ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC1=CC=C(C=C1)C(=O)CC

Technology Process of 1-(4-Butoxyphenyl)propan-1-one

There total 6 articles about 1-(4-Butoxyphenyl)propan-1-one 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: 93.0%

1-iodo-butane (542-69-8) + 4-hydroxypropiophenone (70-70-2) → 1-(4-butoxyphenyl)propan-1-one (5736-90-3)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 16h;

DOI:10.1021/jm020557k

Reference yield: 56.0%

1-butoxy-4-(1-methylpropyl)benzene (36160-80-2) → 1-(4-butoxyphenyl)propan-1-one (5736-90-3) + 1-(4-butoxyphenyl)ethan-1-one (5736-89-0)

Guidance literature:

With hydrogenchloride; sodium nitrite; In water; at 23 ℃; for 3h; Sealed tube;

DOI:10.1021/acs.orglett.1c01303

Reference yield:

4-(1-methylpropyl)phenol (99-71-8) → 1-(4-butoxyphenyl)propan-1-one (5736-90-3) + 1-(4-butoxyphenyl)ethan-1-one (5736-89-0)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / acetone / Reflux; Sealed tube

2: sodium nitrite; hydrogenchloride / water / 3 h / 23 °C / Sealed tube

With hydrogenchloride; potassium carbonate; sodium nitrite; In water; acetone;

DOI:10.1021/acs.orglett.1c01303

upstream raw materials:

n-butyl phenyl ether

propionyl chloride

1-iodo-butane

4-hydroxypropiophenone

Downstream raw materials:

1-(4-butoxy-phenyl)-2-methyl-3-piperidino-propan-1-one; hydrochloride

2-(4-butoxy-phenyl)-3-methyl-quinoline-4-carboxylic acid

6-bromo-2-(4-butoxy-phenyl)-3-methyl-quinoline-4-carboxylic acid

1-(4-butoxy-phenyl)-propan-1-one oxime

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