2-Chloro-1-(1,1-dimethylethoxy)naphthalene

Base Information

• Chemical Name: 2-Chloro-1-(1,1-dimethylethoxy)naphthalene
• CAS No.: 71436-68-5
• Molecular Formula: C₁₄H₁₅ClO
• Molecular Weight: 234.726
• DSSTox Substance ID: DTXSID001265794
• Mol file: 71436-68-5.mol

Synonyms:2-Chloro-1-(1,1-dimethylethoxy)naphthalene;71436-68-5;DTXSID001265794

Chemical Property of 2-Chloro-1-(1,1-dimethylethoxy)naphthalene

Chemical Property:

• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 234.0811428
• Heavy Atom Count: 16
• Complexity: 233

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)OC1=C(C=CC2=CC=CC=C21)Cl

Technology Process of 2-Chloro-1-(1,1-dimethylethoxy)naphthalene

There total 3 articles about 2-Chloro-1-(1,1-dimethylethoxy)naphthalene 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:

potassium tert-butylate (865-47-4) + 1-chloro-3,4-benzo-6,6-dichlorobicyclo<3.1.0>hexane (74925-45-4) → 2-chloronaphthalene (91-58-7) + 1-tert-butoxy-2-chloronaphthalene (71436-68-5) + 2-tert-Butoxy-3-chloro-naphthalene (71436-69-6) + 1,3-Di-tert-butoxynaphthalin (71436-70-9) + 2,3-dichloronaphthalene (2050-75-1) + 1,2-dichloronaphthalene (2050-69-3)

Guidance literature:

In tetrahydrofuran; at 0 ℃; for 0.5h; Product distribution; also reaction in presence of 1,4-cyclohexadiene;

DOI:10.1021/jo01311a017

Reference yield:

1-bromo-3,4-benzo-6,6-dichlorobicyclo<3.1.0>hexane (71436-63-0) + potassium tert-butylate (865-47-4) → 2-chloronaphthalene (91-58-7) + 1-tert-butoxy-2-chloronaphthalene (71436-68-5) + 2-tert-Butoxy-3-chloro-naphthalene (71436-69-6) + 1,3-Di-tert-butoxynaphthalin (71436-70-9)

Guidance literature:

In tetrahydrofuran; at 0 ℃; for 0.5h; Further byproducts given;

DOI:10.1021/jo01311a017

Reference yield:

1-bromo-3,4-benzo-6,6-dichlorobicyclo<3.1.0>hexane (71436-63-0) + potassium tert-butylate (865-47-4) → 2-chloronaphthalene (91-58-7) + 2-bromo-3-chloronaphthalene (71436-67-4) + 1-tert-butoxy-2-chloronaphthalene (71436-68-5) + 2-tert-Butoxy-3-chloro-naphthalene (71436-69-6) + 1,3-Di-tert-butoxynaphthalin (71436-70-9) + 1-bromo-2-chloronaphthalene (71436-66-3)

Guidance literature:

In tetrahydrofuran; at 0 ℃; for 0.5h; Mechanism; Product distribution;

DOI:10.1021/jo01311a017

upstream raw materials:

1-bromo-3,4-benzo-6,6-dichlorobicyclo<3.1.0>hexane

potassium tert-butylate

1-chloro-3,4-benzo-6,6-dichlorobicyclo<3.1.0>hexane