Benzene, 1-chloro-4-(1,1-diethoxyethyl)-

Base Information

• Chemical Name: Benzene, 1-chloro-4-(1,1-diethoxyethyl)-
• CAS No.: 62486-64-0
• Molecular Formula: C12H17ClO2
• Molecular Weight: 228.719
• DSSTox Substance ID: DTXSID90450510
• Nikkaji Number: J1.068.971F
• Wikidata: Q82270274

Synonyms:62486-64-0;Benzene, 1-chloro-4-(1,1-diethoxyethyl)-;DTXSID90450510;4'-Chloroacetophenone diethyl acetal

Chemical Property of Benzene, 1-chloro-4-(1,1-diethoxyethyl)-

Chemical Property:

• PSA: 18.46000
• LogP: 3.58570
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 228.0917075
• Heavy Atom Count: 15
• Complexity: 171

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(C)(C1=CC=C(C=C1)Cl)OCC

Technology Process of Benzene, 1-chloro-4-(1,1-diethoxyethyl)-

There total 2 articles about Benzene, 1-chloro-4-(1,1-diethoxyethyl)- 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: 94.0%

para-chloroacetophenone (99-91-2) + orthoformic acid triethyl ester (122-51-0) → 4-chloroacetophenone diethyl acetal (62486-64-0)

Guidance literature:

With N-Bromosuccinimide; In ethanol; dichloromethane; at 20 ℃; for 75h;

Reference yield:

ethanol (64-17-5) + para-chloroacetophenone (99-91-2) → 4-chloroacetophenone diethyl acetal (62486-64-0)

Guidance literature:

With 1,3-bis(3,5-bis(trifluoro-ethyl)phenyl)thiourea; orthoformic acid triethyl ester; at 25 ℃; for 94h;

DOI:10.1016/j.tet.2005.09.079

Reference yield: 98.0%

1.3-propanedithiol (109-80-8) + 4-chloroacetophenone diethyl acetal (62486-64-0) → 2-(4-chlorophenyl)-2-methyl-1,3-dithiane (10359-10-1)

Guidance literature:

molybdenum(V) chloride; In dichloromethane; at 20 ℃; for 0.0833333h;

DOI:10.1080/10426500108040269

upstream raw materials:

para-chloroacetophenone

orthoformic acid triethyl ester

ethanol

Downstream raw materials:

(Z)-3-(4-Chloro-phenyl)-2-trimethylsilanylmethyl-but-2-enoic acid ethyl ester

2-(4-chlorophenyl)-2-methyl-1,3-dithiane

N-1-(4-chlorophenyl)ethylidene-O,O-diethylthiophosphoramide

N-1-(4-chlorophenyl)ethylidene-diphenylthiophosphinamide

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