Dimethyl bicyclo[3.2.1]octane-1,5-dicarboxylate

Base Information

Chemical Name:Dimethyl bicyclo[3.2.1]octane-1,5-dicarboxylate
CAS No.:106004-11-9
Molecular Formula:C₁₂H₁₈O₄
Molecular Weight:226.273
Hs Code.:
DSSTox Substance ID:DTXSID40545506
Mol file:106004-11-9.mol

Synonyms:Dimethyl bicyclo[3.2.1]octane-1,5-dicarboxylate;106004-11-9;1,5-DIMETHYL BICYCLO[3.2.1]OCTANE-1,5-DICARBOXYLATE;Dimethylbicyclo[3.2.1]octane-1,5-dicarboxylate;SCHEMBL9959207;DTXSID40545506;KVNMVWDAQWIXDK-UHFFFAOYSA-N;CS-0440335;G18790;Bicyclo[3.2.1]octane-1,5-dicarboxylic acid dimethyl ester

Suppliers and Price of Dimethyl bicyclo[3.2.1]octane-1,5-dicarboxylate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Crysdot
Dimethylbicyclo[3.2.1]octane-1,5-dicarboxylate 95+%
1g
$ 693.00

Chemenu
Dimethylbicyclo[3.2.1]octane-1,5-dicarboxylate 95%
1g
$ 655.00

American Custom Chemicals Corporation
DIMETHYL BICYCLO[3.2.1]OCTANE-1,5-DICARBOXYLATE 95.00%
5MG
$ 497.51

Total 3 raw suppliers

Chemical Property of Dimethyl bicyclo[3.2.1]octane-1,5-dicarboxylate

Chemical Property:

PSA：52.60000
LogP:1.67300
Storage Temp.:2-8°C
XLogP3:1.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:226.12050905
Heavy Atom Count:16
Complexity:295

Purity/Quality:

98%min ^*data from raw suppliers

Dimethylbicyclo[3.2.1]octane-1,5-dicarboxylate 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C12CCCC(C1)(CC2)C(=O)OC

Technology Process of Dimethyl bicyclo[3.2.1]octane-1,5-dicarboxylate

There total 5 articles about Dimethyl bicyclo[3.2.1]octane-1,5-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:

: 106004-10-8
dimethyl 1-(2'-chloroethyl)cyclohexane-1,3-dicarboxylate

: 106004-11-9
dimethyl bicyclo<3.2.1>octane-1,5-dicarboxylate

Guidance literature:: With n-butyllithium; diisopropylamine; In tetrahydrofuran; 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; hexane; at -78 - 25 ℃; Product distribution / selectivity; Inert atmosphere;

Reference yield:

: 1459-93-4
dimethyl Isophthalate

: 106004-11-9
dimethyl bicyclo<3.2.1>octane-1,5-dicarboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: 80 percent / H₂ / W 2 Raney nickel / methanol; tetrahydrofuran / 15 h / 100 - 105 °C / 82743.7 Torr

2: 1.) lithium diisopropylamide / 1.) THF, HMPT, -75 deg C, 40 min, 2.) THF, HMPT, -80 deg C to RT, 1.5 h

With hydrogen; lithium diisopropyl amide; W 2 Raney nickel; In tetrahydrofuran; methanol;

Reference yield:

: 62638-06-6
dimethyl cyclohexane-1,3-dicarboxylate

: 106004-11-9
dimethyl bicyclo<3.2.1>octane-1,5-dicarboxylate

Guidance literature:: Multi-step reaction with 2 steps

1.1: diisopropylamine; n-butyllithium / hexane; 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; tetrahydrofuran / 1 h / -78 °C / Inert atmosphere

1.2: -78 - 25 °C

2.1: diisopropylamine; n-butyllithium / hexane; 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; tetrahydrofuran / -78 - 25 °C / Inert atmosphere

With n-butyllithium; diisopropylamine; In tetrahydrofuran; 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; hexane;