Dimethyl 1-(2-chloroethyl)cyclohexane-1,4-dicarboxylate

Base Information

• Chemical Name: Dimethyl 1-(2-chloroethyl)cyclohexane-1,4-dicarboxylate
• CAS No.: 106004-06-2
• Molecular Formula: C12H19 Cl O4
• Molecular Weight: 262.733
• Hs Code.: 2917209090
• DSSTox Substance ID: DTXSID60545503
• Mol file: 106004-06-2.mol

Synonyms:dimethyl 1-(2-chloroethyl)cyclohexane-1,4-dicarboxylate;106004-06-2;SCHEMBL2824808;Dimethyl1-(2-chloroethyl)cyclohexane-1,4-dicarboxylate;DTXSID60545503;ONBAUDQPYATDMN-UHFFFAOYSA-N;AKOS015910733;F18683;1,4-Cyclohexanedicarboxylicacid,1-(2-chloroethyl)-,1,4-dimethyl ester

Chemical Property of Dimethyl 1-(2-chloroethyl)cyclohexane-1,4-dicarboxylate

Chemical Property:

• PSA: 52.60000
• LogP: 2.13790
• Storage Temp.: 2-8°C
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 262.0971868
• Heavy Atom Count: 17
• Complexity: 282

Purity/Quality:

99% ^*data from raw suppliers

Dimethyl 1-(2-chloroethyl)cyclohexane-1,4-dicarboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1CCC(CC1)(CCCl)C(=O)OC

Technology Process of Dimethyl 1-(2-chloroethyl)cyclohexane-1,4-dicarboxylate

There total 5 articles about Dimethyl 1-(2-chloroethyl)cyclohexane-1,4-dicarboxylate 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: 100.0%

dimethyl 1,4-cyclohexane dicarboxylate (94-60-0) + 1-Bromo-2-chloroethane (107-04-0) → dimethyl 1-(2'-chloroethyl)cyclohexane-1,4-dicarboxylate (106004-06-2)

Guidance literature:

dimethyl 1,4-cyclohexane dicarboxylate; With 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; n-butyllithium; diisopropylamine; In tetrahydrofuran; hexane; at -67 - 0 ℃; for 1h;

1-Bromo-2-chloroethane; In tetrahydrofuran; hexane; at -55 - 20 ℃; for 1h;

With ammonium chloride; In tetrahydrofuran; hexane; water;

Reference yield: 65.0%

1-Bromo-2-chloroethane (107-04-0) → dimethyl 1-(2'-chloroethyl)cyclohexane-1,4-dicarboxylate (106004-06-2)

Guidance literature:

dimethyl 1,4-cyclohexane dicarboxylate; With N,N,N,N,N,N-hexamethylphosphoric triamide; n-butyllithium; diisopropylamine; In tetrahydrofuran; hexane; at -78 - -20 ℃; for 0.833333h;

1-Bromo-2-chloroethane; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 0.0833333h;

Reference yield:

1-bromo-1-chloroethane (593-96-4) + dimethyl 1,4-cyclohexane dicarboxylate (94-60-0) → dimethyl 1-(2'-chloroethyl)cyclohexane-1,4-dicarboxylate (106004-06-2)

Guidance literature:

dimethyl 1,4-cyclohexane dicarboxylate; With tetramethylurea; lithium diisopropyl amide; In tetrahydrofuran; hexane; at -78 ℃; for 1.16667h;

1-bromo-1-chloroethane; In tetrahydrofuran; hexane; at -78 - 25 ℃;

With hydrogenchloride; In tetrahydrofuran; hexane; water; for 0.166667h;

upstream raw materials:

dimethyl 1,4-cyclohexane dicarboxylate

1-Bromo-2-chloroethane

1,4-benzenedicarboxylic acid dimethyl ester

1-bromo-1-chloroethane

Downstream raw materials:

dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate

1-Vinyl-cyclohexane-1,4-dicarboxylic acid dimethyl ester

cis/trans-1-(2-iodoethyl)-cyclohexane-1,4-dicarboxylic acid dimethyl ester

bicyclo[2.2.2]octane-1,4-dicarboxylic acid monomethyl ester