Dimethyl cyclohex-2-ene-1,2-dicarboxylate

Base Information

Chemical Name:Dimethyl cyclohex-2-ene-1,2-dicarboxylate
CAS No.:41902-36-7
Molecular Formula:C₁₀H₁₄O₄
Molecular Weight:198.219
Hs Code.:
DSSTox Substance ID:DTXSID90531813
Nikkaji Number:J160.541K
Mol file:41902-36-7.mol

Synonyms:dimethyl cyclohex-2-ene-1,2-dicarboxylate;41902-36-7;DTXSID90531813;HFNQSVDOAVIZIS-UHFFFAOYSA-N

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Chemical Property of Dimethyl cyclohex-2-ene-1,2-dicarboxylate

Chemical Property:

Boiling Point:85 °C(Press: 0.5 Torr)
PSA：52.60000
Density:1.146±0.06 g/cm3(Predicted)
LogP:1.05890
XLogP3:1.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:198.08920892
Heavy Atom Count:14
Complexity:267

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC(=O)C1CCCC=C1C(=O)OC

Technology Process of Dimethyl cyclohex-2-ene-1,2-dicarboxylate

There total 8 articles about Dimethyl cyclohex-2-ene-1,2-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:

: 74-88-4
methyl iodide

: 41902-36-7
1,2-dimethyl cyclohex-2-ene-1,2-dicarboxylate

Guidance literature:: With diethyl ether;
DOI:10.1021/ja01523a041

Reference yield:

: 140459-96-7
(1R,2R)-1,2-cyclohexanedicarboxylic acid dimethyl ester

: 41902-36-7
1,2-dimethyl cyclohex-2-ene-1,2-dicarboxylate

: 4336-19-0
1,2-dimethyl cyclohex-1-ene-1,2-dicarboxylate

Guidance literature:: (1R,2R)-1,2-cyclohexanedicarboxylic acid dimethyl ester; With n-butyllithium; diisopropylamine; In tetrahydrofuran; at -78 ℃; for 0.233333h; Inert atmosphere;

With iodine; In tetrahydrofuran; at -78 ℃; Overall yield = 75 %;
DOI:10.1021/jo302467w

Reference yield:

: 2-(nitromethyl)cyclohexane-1-carbaldehyde

: 41902-36-7
1,2-dimethyl cyclohex-2-ene-1,2-dicarboxylate

: 4336-19-0
1,2-dimethyl cyclohex-1-ene-1,2-dicarboxylate

Guidance literature:: Multi-step reaction with 4 steps

1.1: dipyridinium dichromate / N,N-dimethyl-formamide / 20 °C / Inert atmosphere

2.1: acetic acid; sodium nitrite / dimethyl sulfoxide / 8 h / 40 °C / Inert atmosphere

3.1: diethyl ether / 0 °C / Inert atmosphere

4.1: n-butyllithium; diisopropylamine / tetrahydrofuran / 0.23 h / -78 °C / Inert atmosphere

4.2: -78 °C

With dipyridinium dichromate; n-butyllithium; acetic acid; diisopropylamine; sodium nitrite; In tetrahydrofuran; diethyl ether; dimethyl sulfoxide; N,N-dimethyl-formamide;
DOI:10.1021/jo302467w