4-N-BUTYLBENZOYL CHLORIDE

Base Information

• Chemical Name: 4-N-BUTYLBENZOYL CHLORIDE
• CAS No.: 28788-62-7
• Molecular Formula: C11H13ClO
• Molecular Weight: 196.677
• Hs Code.: 29163990
• European Community (EC) Number: 249-224-2
• DSSTox Substance ID: DTXSID1067413
• Nikkaji Number: J32.728J
• Wikidata: Q81994002
• Mol file: 28788-62-7.mol

Synonyms:Benzoylchloride, p-butyl- (8CI);4-Butylbenzoyl chloride;4-n-Butylbenzoyl chloride;p-Butylbenzoyl chloride;p-n-Butylbenzoyl chloride;

Chemical Property of 4-N-BUTYLBENZOYL CHLORIDE

Chemical Property:

• Appearance/Colour: clear slightly yellow liquid
• Vapor Pressure: 0.00655mmHg at 25°C
• Refractive Index: n20/D 1.5351(lit.)
• Boiling Point: 271.2 °C at 760 mmHg
• Flash Point: 120.3 °C
• PSA: 17.07000
• Density: 1.082 g/cm³
• LogP: 3.40820
• Sensitive.: Moisture Sensitive
• Water Solubility.: Reacts with water.
• XLogP3: 5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 196.0654927
• Heavy Atom Count: 13
• Complexity: 160

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Butylbenzoyl chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34-36/37
• Safety Statements: 26-27-28-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1=CC=C(C=C1)C(=O)Cl
• Uses: 4-Butylbenzoyl chloride was used in the synthesis of 2,5-bis[(4-butylbenzoyl)oxy]styrene (BBOS, monomer). Intermediates of Liquid Crystals

Technology Process of 4-N-BUTYLBENZOYL CHLORIDE

There total 4 articles about 4-N-BUTYLBENZOYL 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: 95.2%

4-butyl benzoic acid (20651-71-2) → 4-butylbenzoyl chloride (28788-62-7)

Guidance literature:

With iron(III) chloride; 4-n-butyltrichlorotoluene; at 145 ℃; for 8h; Temperature;

Reference yield: 66.5%

oxalyl dichloride (79-37-8) + 1-butylbenzene (104-51-8) → 4-butylbenzoyl chloride (28788-62-7)

Guidance literature:

oxalyl dichloride; With aluminum (III) chloride; In dichloromethane; for 0.0833333h;

1-butylbenzene; In dichloromethane; at 20 - 25 ℃; for 1h;

DOI:10.15227/orgsyn.061.0008

Reference yield:

carbon monoxide (201230-82-2) + p-bromobutylbenzene (41492-05-1) → 4-butylbenzoyl chloride (28788-62-7)

Guidance literature:

With bis(tri-t-butylphosphine)palladium⁽⁰⁾; benzyltriphenylphosphonium chloride; In toluene; at 110 ℃; for 24h; under 15201 Torr; Autoclave; Glovebox;

DOI:10.1002/chem.201500476

upstream raw materials:

4-butyl benzoic acid

oxalyl dichloride

1-butylbenzene

carbon monoxide

Downstream raw materials:

4-(n-butyl)benzaldehyde

bis(2-methylbenzoyl) peroxide

bis(4-t-butylbenzoyl) peroxide

methyl 2-[[[4-[(4-butylbenzoyl)amino]phenyl]sulfonyl]amino]-3-(1H-indole-3-yl)propanoate

Refernces

• 1、 -. "Lappaconitine derivative with analgesic activity, and preparation method and application thereof". Paragraph 0341-0345. . Retrieved 2021/07/14.
• 2、 Acar, Cemre,Yal??n, Gozde,Ertan-Bolelli, Tu?ba,Kaynak Onurda?, Fatma,?kten, Suzan,?ener, Funda,Y?ld?z, ?lkay. "Synthesis and molecular docking studies of some novel antimicrobial benzamides". . . Retrieved 2019/11/19.