[2-[2-Hydroxyethyl(methyl)amino]-2-oxoethyl] benzoate

Base Information

Chemical Name:[2-[2-Hydroxyethyl(methyl)amino]-2-oxoethyl] benzoate
CAS No.:106231-59-8
Molecular Formula:C12H15NO4
Molecular Weight:237.255
Hs Code.:
ChEMBL ID:CHEMBL138405
DSSTox Substance ID:DTXSID70872110
Nikkaji Number:J1.553.327G

Synonyms:106231-59-8;CHEMBL138405;DTXSID70872110;2-[(2-Hydroxyethyl)(methyl)amino]-2-oxoethyl benzoate

Suppliers and Price of [2-[2-Hydroxyethyl(methyl)amino]-2-oxoethyl] benzoate

Supply Marketing:

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

Manufacturers and distributors:

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Chemical Property of [2-[2-Hydroxyethyl(methyl)amino]-2-oxoethyl] benzoate

Chemical Property:

XLogP3:0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:237.10010796
Heavy Atom Count:17
Complexity:261

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN(CCO)C(=O)COC(=O)C1=CC=CC=C1

Technology Process of [2-[2-Hydroxyethyl(methyl)amino]-2-oxoethyl] benzoate

There total 4 articles about [2-[2-Hydroxyethyl(methyl)amino]-2-oxoethyl] benzoate 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: 50.0%

: 109-83-1
(2-hydroxyethyl)(methyl)amine

: 54150-57-1
2-benzoyloxyacetyl chloride

: 106231-59-8
2-(benzoyloxy)-(N-methyl-N-β-hydroxyethyl) acetamide

Guidance literature:: In benzene; for 3h; Ambient temperature;
DOI:10.1002/jps.2600770402

Reference yield:

: 614-44-8
benzoyloxyacetic acid

: 106231-59-8
2-(benzoyloxy)-(N-methyl-N-β-hydroxyethyl) acetamide

Guidance literature:: Multi-step reaction with 2 steps

1: 88 percent / SOCl₂ / 3 h / Heating

2: 50 percent / benzene / 3 h / Ambient temperature

With thionyl chloride; In benzene;
DOI:10.1002/jps.2600770402

Reference yield:

: 532-32-1
sodium benzoate

: 106231-59-8
2-(benzoyloxy)-(N-methyl-N-β-hydroxyethyl) acetamide

Guidance literature:: Multi-step reaction with 4 steps

1: 90 percent / NaI / H₂O / 6 h / 90 °C

2: 80 percent / aq. HCl / 0.17 h / 75 °C

3: 88 percent / SOCl₂ / 3 h / Heating

4: 50 percent / benzene / 3 h / Ambient temperature

With hydrogenchloride; thionyl chloride; sodium iodide; In water; benzene;
DOI:10.1002/jps.2600770402