Benzene, 1-[2-(2-chloroethoxy)ethoxy]-4-(1,1,3,3-tetramethylbutyl)-

Base Information

• Chemical Name: Benzene, 1-[2-(2-chloroethoxy)ethoxy]-4-(1,1,3,3-tetramethylbutyl)-
• CAS No.: 65925-28-2
• Molecular Formula: C18H29ClO2
• Molecular Weight: 312.88
• European Community (EC) Number: 265-982-7
• DSSTox Substance ID: DTXSID9070371
• Nikkaji Number: J32.058G
• Wikidata: Q81997643
• Mol file: 65925-28-2.mol

Synonyms:65925-28-2;Benzene, 1-[2-(2-chloroethoxy)ethoxy]-4-(1,1,3,3-tetramethylbutyl)-;1-(2-(2-Chloroethoxy)ethoxy)-4-(1,1,3,3-tetramethylbutyl)benzene;EINECS 265-982-7;1-[2-(2-Chloroethoxy)ethoxy]-4-(1,1,3,3-tetramethylbutyl)benzene;Benzene, 1-(2-(2-chloroethoxy)ethoxy)-4-(1,1,3,3-tetramethylbutyl)-;C18H29ClO2;DTXSID9070371;SCHEMBL15978997;C18-H29-Cl-O2;AKOS012975430;1-Chloro-5-[4-(1,1,3,3-tetramethylbutyl)phenoxy]-3-oxapentane;1-[2-(2-Chloroethoxy)ethoxy]-4-(1,1,3,3-tetramethylbutyl)benzene #

Chemical Property of Benzene, 1-[2-(2-chloroethoxy)ethoxy]-4-(1,1,3,3-tetramethylbutyl)-

Chemical Property:

• Vapor Pressure: 3.45E-06mmHg at 25°C
• Boiling Point: 398.2°Cat760mmHg
• Flash Point: 102°C
• PSA: 18.46000
• Density: 0.998g/cm³
• LogP: 5.03460
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 312.1856079
• Heavy Atom Count: 21
• Complexity: 275

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Benzene, 1-[2-(2-chloroethoxy)ethoxy]-4-(1,1,3,3-tetramethylbutyl)-

There total 5 articles about Benzene, 1-[2-(2-chloroethoxy)ethoxy]-4-(1,1,3,3-tetramethylbutyl)- 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: 62.0%

tert-octylphenol (140-66-9) + 3-oxa-1,5-dichloropentane (111-44-4) → 1-[2-(2-chloroethoxy)ethoxy]-4-(1,1,3,3-tetramethylbutyl)benzene (65925-28-2)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 80 ℃; Inert atmosphere;

Reference yield:

2,4,4-trimethyl-1-pentene (107-39-1) + 2-(2-phenoxyethoxy)ethyl chloride (2243-44-9) → 1-[2-(2-chloroethoxy)ethoxy]-4-(1,1,3,3-tetramethylbutyl)benzene (65925-28-2)

Guidance literature:

With carbon disulfide; aluminium trichloride;

Reference yield:

2,4,4-trimethyl-1-pentene (107-39-1) → 1-[2-(2-chloroethoxy)ethoxy]-4-(1,1,3,3-tetramethylbutyl)benzene (65925-28-2)

Guidance literature:

Multi-step reaction with 2 steps

1: concentrated sulfuric acid / 20 - 25 °C

2: sodium ethylate; ethanol

With ethanol; sulfuric acid; sodium ethanolate;

upstream raw materials:

2,4,4-trimethyl-1-pentene

2-(2-phenoxyethoxy)ethyl chloride

tert-octylphenol

3-oxa-1,5-dichloropentane

Downstream raw materials:

C₂₈H₄₄NO₃⁽¹⁺⁾*Cl^(1-)

1,11-bis-[4-(1,1,3,3-tetramethyl-butyl)-phenoxy]-3,9-dioxa-6-thia-undecane

bis-(2-hydroxy-ethyl)-(2-{2-[4-(1,1,3,3-tetramethyl-butyl)-phenoxy]-ethoxy}-ethyl)-amine

(p-tert-octylphenoxyethoxyethyl)dimethylamine

Refernces

• 1、 -. "METHOD FOR PREPARING ARYL POLYOXY ALKYL QUATERNARY AMMONIUM COMPOUND". Paragraph 0050; 0051; 0052. . Retrieved 2014/03/25.
• 2、 -. "PHOSPHOLIPID-DETERGENT CONJUGATES AND USES THEREOF". Page/Page column 85. . Retrieved 2013/03/26.