[2-[(1-Amino-1-oxopropan-2-yl)amino]-2-oxoethyl] benzoate

Base Information

Chemical Name:[2-[(1-Amino-1-oxopropan-2-yl)amino]-2-oxoethyl] benzoate
CAS No.:115193-30-1
Molecular Formula:C₁₂H₁₄N₂O₄
Molecular Weight:250.254
Hs Code.:
DSSTox Substance ID:DTXSID60872184
Nikkaji Number:J1.560.639H

Synonyms:115193-30-1;DTXSID60872184;2-[(1-Amino-1-oxopropan-2-yl)amino]-2-oxoethyl benzoate

Suppliers and Price of [2-[(1-Amino-1-oxopropan-2-yl)amino]-2-oxoethyl] benzoate

Supply Marketing:

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

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Chemical Property of [2-[(1-Amino-1-oxopropan-2-yl)amino]-2-oxoethyl] benzoate

Chemical Property:

XLogP3:0.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:250.09535693
Heavy Atom Count:18
Complexity:324

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C(=O)N)NC(=O)COC(=O)C1=CC=CC=C1

Technology Process of [2-[(1-Amino-1-oxopropan-2-yl)amino]-2-oxoethyl] benzoate

There total 4 articles about [2-[(1-Amino-1-oxopropan-2-yl)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:

: 532-32-1
sodium benzoate

: 115193-30-1
Benzoic acid (1-carbamoyl-ethylcarbamoyl)-methyl ester

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: aq. NaOH / benzene / Ambient temperature

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

Reference yield:

: 64649-43-0
(aminocarbonyl)methyl benzoate

: 115193-30-1
Benzoic acid (1-carbamoyl-ethylcarbamoyl)-methyl ester

Guidance literature:: Multi-step reaction with 3 steps

1: 80 percent / aq. HCl / 0.17 h / 75 °C

2: 88 percent / SOCl₂ / 3 h / Heating

3: aq. NaOH / benzene / Ambient temperature

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

Reference yield:

: 614-44-8
benzoyloxyacetic acid

: 115193-30-1
Benzoic acid (1-carbamoyl-ethylcarbamoyl)-methyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: 88 percent / SOCl₂ / 3 h / Heating

2: aq. NaOH / benzene / Ambient temperature

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