2H-Pyrrole-2-carboxylic acid, 3,4-dihydro-2-methyl-, ethyl ester, 1-oxide

Base Information

Chemical Name:2H-Pyrrole-2-carboxylic acid, 3,4-dihydro-2-methyl-, ethyl ester, 1-oxide
CAS No.:61856-99-3
Molecular Formula:C8H13NO3
Molecular Weight:171.19400
Hs Code.:
ChEMBL ID:CHEMBL387743
DSSTox Substance ID:DTXSID80479073
Nikkaji Number:J1.310.150G
Mol file:61856-99-3.mol

Synonyms:5-EMPO;5-ethoxycarbonyl-5-methyl-1-pyrroline N-oxide

Suppliers and Price of 2H-Pyrrole-2-carboxylic acid, 3,4-dihydro-2-methyl-, ethyl ester, 1-oxide

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

Cayman Chemical
EMPO ≥98%
50mg
$ 266.00

Cayman Chemical
EMPO ≥98%
25mg
$ 152.00

Cayman Chemical
EMPO ≥98%
10mg
$ 74.00

Cayman Chemical
EMPO ≥98%
5mg
$ 39.00

AK Scientific
2H-Pyrrole-2-carboxylicacid,3,4-dihydro-2-methyl-,ethylester,1-oxide
25mg
$ 289.00

Total 21 raw suppliers

Chemical Property of 2H-Pyrrole-2-carboxylic acid, 3,4-dihydro-2-methyl-, ethyl ester, 1-oxide

Chemical Property:

PSA：55.05000
LogP:0.64190
XLogP3:-0.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:171.08954328
Heavy Atom Count:12
Complexity:224

Purity/Quality:

98% ^*data from raw suppliers

EMPO ≥98% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C1(CCC=[N+]1[O-])C
Description EMPO is a hydrophilic cyclic nitrone analog of the free radical spin trap DMPO . The EMPO-superoxide adduct (EMPO-OOH) exhibits an ESR spectrum that is similar to the DMPO-OOH spectrum. However, the EMPO-OOH adduct is about 5-8 times more stable (t1/2 = 4.8 – 8.6 min) and does not spontaneously decay to the hydroxyl adduct, making spectral interpretation less difficult.

Technology Process of 2H-Pyrrole-2-carboxylic acid, 3,4-dihydro-2-methyl-, ethyl ester, 1-oxide

There total 8 articles about 2H-Pyrrole-2-carboxylic acid, 3,4-dihydro-2-methyl-, ethyl ester, 1-oxide 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: 48.0%

: 109571-48-4
4-[1,3]dioxolan-2-yl-2-methyl-2-nitro-butyric acid ethyl ester

: 61856-99-3
5-(ethoxycarbonyl)-5-methyl-1-pyrroline N-oxide

Guidance literature:: 4-[1,3]dioxolan-2-yl-2-methyl-2-nitro-butyric acid ethyl ester; With ammonium chloride; zinc; In ethanol; at 10 - 15 ℃; for 3h;

With hydrogenchloride; at 20 ℃; for 24h;
DOI:10.1039/b101945g

Reference yield: 36.0%

: 107-02-8,25068-14-8
acrolein

: 2531-80-8
ethyl 2-nitropropionate

: 61856-99-3
5-(ethoxycarbonyl)-5-methyl-1-pyrroline N-oxide

Guidance literature:: acrolein; ethyl 2-nitropropionate; With triethylamine; In acetonitrile; at 20 ℃; for 2h; Inert atmosphere;

With ammonium chloride; zinc; In methanol; water; at 0 - 15 ℃; Inert atmosphere;
DOI:10.1021/ja105198c

Reference yield:

: 2531-80-8
ethyl 2-nitropropionate

: 61856-99-3
5-(ethoxycarbonyl)-5-methyl-1-pyrroline N-oxide

Guidance literature:: Multi-step reaction with 2 steps

1: Et₃N / acetonitrile

2: Zn; NH₄Cl

With ammonium chloride; triethylamine; zinc; In acetonitrile;
DOI:10.1039/b606062e