Dimethyl bicyclo[2.1.1]hexane-1,4-dicarboxylate

Base Information

Chemical Name:Dimethyl bicyclo[2.1.1]hexane-1,4-dicarboxylate
CAS No.:42145-38-0
Molecular Formula:C10H14O4
Molecular Weight:198.21600
Hs Code.:2917200090
DSSTox Substance ID:DTXSID80508690
Nikkaji Number:J1.819.439B
Wikidata:Q82365819
Mol file:42145-38-0.mol

Synonyms:dimethyl bicyclo[2.1.1]hexane-1,4-dicarboxylate;42145-38-0;Bicyclo[2.1.1]hexane-1,4-dicarboxylic acid, dimethyl ester;1,4-DIMETHYL BICYCLO[2.1.1]HEXANE-1,4-DICARBOXYLATE;rel-Dimethyl (1r,4r)-bicyclo[2.1.1]hexane-1,4-dicarboxylate;SCHEMBL21404238;bicyclo[2.1.1]hexane-1,4-dicarboxylic acid dimethyl ester;DTXSID80508690;MFCD22371985;AKOS015940730;SB12457;CS-15862;CS-0058472;D80010;Dimethylbicyclo[2.1.1]hexane-1,4-dicarboxylate;dimethyl (1r,4r)-bicyclo[2.1.1]hexane-1,4-dicarboxylate;DIMETHYL CIS-BICYCLO[2.1.1]HEXANE-1,4-DICARBOXYLATE

Suppliers and Price of Dimethyl bicyclo[2.1.1]hexane-1,4-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

SynQuest Laboratories
Dimethyl bicyclo[2.1.1]hexane-1,4-dicarboxylate
1 g
$ 2973.00

SynQuest Laboratories
Dimethyl bicyclo[2.1.1]hexane-1,4-dicarboxylate
250 mg
$ 1210.00

Matrix Scientific
Dimethyl (1r,4r)-bicyclo[2.1.1]hexane-1,4-dicarboxylate
1g
$ 1800.00

Matrix Scientific
Dimethyl (1r,4r)-bicyclo[2.1.1]hexane-1,4-dicarboxylate
500mg
$ 1200.00

Matrix Scientific
Dimethyl (1r,4r)-bicyclo[2.1.1]hexane-1,4-dicarboxylate
250mg
$ 750.00

ChemScene
Dimethylbicyclo[2.1.1]hexane-1,4-dicarboxylate
250mg
$ 385.00

ChemScene
Dimethylbicyclo[2.1.1]hexane-1,4-dicarboxylate
100mg
$ 194.00

Apolloscientific
Dimethylbicyclo[2.1.1]hexane-1,4-dicarboxylate
1g
$ 2695.00

Apolloscientific
Dimethylbicyclo[2.1.1]hexane-1,4-dicarboxylate
250mg
$ 1097.00

American Custom Chemicals Corporation
DIMETHYL BICYCLO[2.1.1]HEXANE-1,4-DICARBOXYLATE 95.00%
5MG
$ 457.85

Total 8 raw suppliers

Chemical Property of Dimethyl bicyclo[2.1.1]hexane-1,4-dicarboxylate

Chemical Property:

PSA：52.60000
LogP:0.89280
XLogP3:0.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:198.08920892
Heavy Atom Count:14
Complexity:257

Purity/Quality:

99%, ^*data from raw suppliers

Dimethyl bicyclo[2.1.1]hexane-1,4-dicarboxylate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C12CCC(C1)(C2)C(=O)OC

Technology Process of Dimethyl bicyclo[2.1.1]hexane-1,4-dicarboxylate

There total 4 articles about Dimethyl bicyclo[2.1.1]hexane-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: 59.0%

: 75-11-6
diiodomethane

: 2435-36-1
cyclopentane?1,3?dimethyl formate

: 42145-38-0
dimethyl bicyclo<2.1.1>hexane-1,4-dicarboxylate

Guidance literature:: cyclopentane?1,3?dimethyl formate; With N,N,N,N,N,N-hexamethylphosphoric triamide; n-butyllithium; diisopropylamine; In tetrahydrofuran; ethanol; at -60 - -10 ℃; for 0.5h;

diiodomethane; In tetrahydrofuran; ethanol; at 20 ℃; for 0.333333h;

Reference yield:

: 39590-04-0,190137-08-7
(1R,3S)-dimethyl cyclopentane-1,3-dicarboxylate

: 42145-38-0
dimethyl bicyclo<2.1.1>hexane-1,4-dicarboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) n-BuLi, diisopropylamine, 2.) HMPA / 1.) THF, -78 deg C, 10 min, 2.) THF, -78 deg C, 2 h

2: 4.4 g / n-BuLi, diisopropylamine, HMPA / tetrahydrofuran / 2.5 h / -78 °C / other substrates, other base

With N,N,N,N,N,N-hexamethylphosphoric triamide; n-butyllithium; diisopropylamine; In tetrahydrofuran;
DOI:10.1021/jo00336a038

Reference yield:

: 79028-25-4
1-(Iodomethyl)-1,3-bis(carbomethoxy)cyclopentane

: 42145-38-0
dimethyl bicyclo<2.1.1>hexane-1,4-dicarboxylate

Guidance literature:: With N,N,N,N,N,N-hexamethylphosphoric triamide; n-butyllithium; diisopropylamine; In tetrahydrofuran; at -78 ℃; for 2.5h;
DOI:10.1021/jo00336a038