4-Chloropentylbenzene

Base Information

• Chemical Name: 4-Chloropentylbenzene
• CAS No.: 79098-20-7
• Molecular Formula: C11H15Cl
• Molecular Weight: 182.693
• Hs Code.: 2903999090
• European Community (EC) Number: 674-010-4
• UNII: W8V4CEB5PY
• DSSTox Substance ID: DTXSID6048206
• Nikkaji Number: J618.487A
• Wikidata: Q81984489
• ChEMBL ID: CHEMBL3560634
• Mol file: 79098-20-7.mol

Synonyms:4-chloropentylbenzene;79098-20-7;1-chloro-4-pentylbenzene;1-Pentyl-4-chlorobenzene;W8V4CEB5PY;DTXSID6048206;UNII-W8V4CEB5PY;SCHEMBL2056149;CHEMBL3560634;DTXCID8028181;Tox21_303473;MFCD00079740;3-Bromo-5-methylbenzsulphonylchloride;AKOS006346208;NCGC00257280-01;CAS-79098-20-7;FT-0676240

Chemical Property of 4-Chloropentylbenzene

Chemical Property:

• Vapor Pressure: 0.0728mmHg at 25°C
• Refractive Index: 1.506
• Boiling Point: 236.4 °C at 760 mmHg
• Flash Point: 100.8 °C
• PSA: 0.00000
• Density: 0.994 g/cm³
• LogP: 4.07270
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 182.0862282
• Heavy Atom Count: 12
• Complexity: 104

Purity/Quality:

97% ^*data from raw suppliers

4-Chloropentylbenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC1=CC=C(C=C1)Cl

Technology Process of 4-Chloropentylbenzene

There total 16 articles about 4-Chloropentylbenzene 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: 99.0%

tributyl borane (122-56-5) + 4-chlorobenzaldehyde p-toluenesulfonylhydrazone (19350-69-7) → 1-chloro-4-pentylbenzene (79098-20-7)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; for 1.5h; Heating;

DOI:10.1021/jo962089q

Reference yield: 98.0%

1-chloro-4-(penta-1,3-dien-1-yl)benzene (3909-99-7) → 1-chloro-4-pentylbenzene (79098-20-7)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethyl acetate; for 0.333333h; under 760 Torr;

DOI:10.1246/bcsj.56.2154

Reference yield: 94.0%

tributyl borane (122-56-5) + N-[(E)-(4-chlorophenyl)methyleneamino]-4-methylbenzenesulfonamide → 1-chloro-4-pentylbenzene (79098-20-7)

Guidance literature:

With tetra(n-butyl)ammonium hydroxide; In tetrahydrofuran; methanol; for 1h; Heating;

DOI:10.1021/jo00098a008

upstream raw materials:

pentylbenzene

1-chloro-4-(penta-1,3-dien-1-yl)benzene

tributyl borane

4-chlorobenzaldehyde p-toluenesulfonylhydrazone

Downstream raw materials:

1-(2-Amino-5-pentyl-phenyl)-2,2-dimethoxy-ethanone

1-(2-Amino-5-pentyl-phenyl)-2,2-dimethoxy-ethanol

Malonsaeurebis(4-pentylanilid)

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