4-Phenoxybutyl chloride

Base Information

• Chemical Name: 4-Phenoxybutyl chloride
• CAS No.: 2651-46-9
• Molecular Formula: C10H13ClO
• Molecular Weight: 184.666
• Hs Code.: 2909309090
• European Community (EC) Number: 220-174-3
• NSC Number: 78903
• DSSTox Substance ID: DTXSID40181089
• Nikkaji Number: J134.868J
• Wikidata: Q72500994
• Mol file: 2651-46-9.mol

Synonyms:4-Phenoxybutyl chloride;2651-46-9;(4-Chlorobutoxy)benzene;4-chlorobutoxybenzene;4-Chlorobutyl phenyl ether;Benzene, (4-chlorobutoxy)-;4-PhenoxybutylChloride;1-Chloro-4-phenoxybutane;EINECS 220-174-3;AI3-17426;NSC78903;(4-Chlorobutoxy) benzene;(4-Chlorobutoxy)benzene #;Ether, 4-chlorobutyl phenyl;SCHEMBL4329339;JKXCPAVECBFBOC-UHFFFAOYSA-;DTXSID40181089;MFCD00001012;NSC 78903;NSC-78903;AKOS009157012;AS-58787;A5249;CS-0270191;FT-0607632;P1386;D85909;EN300-674416

Chemical Property of 4-Phenoxybutyl chloride

Chemical Property:

• Appearance/Colour: Clear very slightly yellow liquid after melting
• Vapor Pressure: 0.00489mmHg at 25°C
• Melting Point: 20oC
• Refractive Index: n20/D 1.522(lit.)
• Boiling Point: 285.203 °C at 760 mmHg
• Flash Point: 121.253 °C
• PSA: 9.23000
• Density: 1.059 g/cm³
• LogP: 3.08440
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 184.0654927
• Heavy Atom Count: 12
• Complexity: 100

Purity/Quality:

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

4-Phenoxybutyl Chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 37/38-41-43-36/37/38
• Safety Statements: 26-36/37/39-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OCCCCCl

Technology Process of 4-Phenoxybutyl chloride

There total 10 articles about 4-Phenoxybutyl 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: 95.0%

4-chlorobutyl bromide (6940-78-9) + phenol (108-95-2,27073-41-2) → (4-chlorobutoxy)benzene (2651-46-9)

Guidance literature:

With potassium hydroxide; In methanol; at 60 ℃; for 2h;

DOI:10.1021/jo000039m

Reference yield: 77.0%

1,4-dichlorobutane (110-56-5) + phenol (108-95-2,27073-41-2) → (4-chlorobutoxy)benzene (2651-46-9)

Guidance literature:

With sodium hydroxide; tetra(n-butyl)ammonium hydrogensulfate; for 3h; Heating;

DOI:10.1021/jm00002a005

Reference yield: 77.0%

tetra(n-butyl)ammonium hydrogen sulfate + 1,4-dichlorobutane (110-56-5) + phenol (108-95-2,27073-41-2) → (4-chlorobutoxy)benzene (2651-46-9)

Guidance literature:

With sodium hydroxide;

upstream raw materials:

4-phenoxybutan-1-ol

4-phenoxybutylamine

1,4-dichlorobutane

phenol

Downstream raw materials:

1-(4-phenoxybutyl)piperazine

4-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]-5-ethyl-2,4-dihydro-2-(4-phenoxybutyl)-3H-1,2,4-triazol-3-one hydrochloride

4-(4-chlorobutoxy)benzenesulfonyl chloride

2-bromo-6-phenoxy-hexanoic acid

Refernces

• 1、 Foubelo, Francisco,Saleh, Sadiq A.,Yus, Miguel. "3-chloropropyl and 4-chlorobutyl phenyl ethers as sources of 1,3-dilithiopropane and 1,4-dilithiobutane: Sequential reaction with carbonyl compounds". . p. 3478 - 3483. Retrieved 2007/10/03.
• 2、 Hardcastle,Rowlands,Houghton,Parr,Potter,Jarman,Edwards,Laughton,Trent,Neidle. "Rationally designed analogues of tamoxifen with improved calmodulin antagonism". . p. 241 - 248. Retrieved 2007/10/02.