2-(diethoxyphosphorylmethyl)-5-methyl-1H-pyrrole

Base Information

Chemical Name:2-(diethoxyphosphorylmethyl)-5-methyl-1H-pyrrole
CAS No.:113848-06-9
Molecular Formula:C10H18NO3P
Molecular Weight:0.00000
Hs Code.:
DSSTox Substance ID:DTXSID601347807
Nikkaji Number:J354.859G
Wikidata:Q63392336
Mol file:113848-06-9.mol

Synonyms:113848-06-9;2-(diethoxyphosphorylmethyl)-5-methyl-1H-pyrrole;[(5-Methyl-1H-pyrrol-2-yl)methyl]phosphonic acid diethyl ester;DTXSID601347807;2-((DIETHOXYPHOSPHORYL)METHYL)-5-METHYLPYRROLE;Diethyl [(5-methyl-1H-pyrrol-2-yl)methyl]phosphonate;Q63392336

Suppliers and Price of 2-(diethoxyphosphorylmethyl)-5-methyl-1H-pyrrole

Supply Marketing:

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

Manufacturers and distributors:

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Chemicals and raw materials
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Total 1 raw suppliers

Chemical Property of 2-(diethoxyphosphorylmethyl)-5-methyl-1H-pyrrole

Chemical Property:

PSA：0.00000
LogP:0.00000
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:231.10243043
Heavy Atom Count:15
Complexity:225

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCOP(=O)(CC1=CC=C(N1)C)OCC

Technology Process of 2-(diethoxyphosphorylmethyl)-5-methyl-1H-pyrrole

There total 3 articles about 2-(diethoxyphosphorylmethyl)-5-methyl-1H-pyrrole 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: 24.0%

: 107487-03-6
(5-Acetyl-4,5-dihydro-isoxazol-3-ylmethyl)-phosphonic acid diethyl ester

: 113848-06-9
2-<(diethoxyphosphoryl)methyl>-5-methylpyrrole

Guidance literature:: With hydrogen; Raney Ni (W-2); In ethanol; water; acetic acid; for 19h; under 760 Torr; Ambient temperature;
DOI:10.1246/bcsj.60.2463

Reference yield:

: 1606-75-3
(2-oxoethyl)phosphonic acid diethyl ester

: 113848-06-9
2-<(diethoxyphosphoryl)methyl>-5-methylpyrrole

Guidance literature:: Multi-step reaction with 3 steps

1: 95 percent / aq. hydroxylamine hydrochloride / ethanol / 11.5 h / Ambient temperature

2: 1.) NBS; 2.) triethylamine / 1.) DMF, -20 deg C, 1 h, 0 deg C, 30 min; 2.) DMF, Et₂O, RT, 48 h

3: 24 percent / H₂ / Raney Ni (W-2) / ethanol; H₂O; acetic acid / 19 h / 760 Torr / Ambient temperature

With N-Bromosuccinimide; hydroxylamine hydrochloride; hydrogen; triethylamine; Raney Ni (W-2); In ethanol; water; acetic acid;
DOI:10.1246/bcsj.60.2463

Reference yield:

: 110841-50-4
N-<2-(diethoxyphosphoryl)ethylidene>hydroxylamine

: 113848-06-9
2-<(diethoxyphosphoryl)methyl>-5-methylpyrrole

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) NBS; 2.) triethylamine / 1.) DMF, -20 deg C, 1 h, 0 deg C, 30 min; 2.) DMF, Et₂O, RT, 48 h

2: 24 percent / H₂ / Raney Ni (W-2) / ethanol; H₂O; acetic acid / 19 h / 760 Torr / Ambient temperature

With N-Bromosuccinimide; hydrogen; triethylamine; Raney Ni (W-2); In ethanol; water; acetic acid;
DOI:10.1246/bcsj.60.2463