Benzoic acid (carbamoylmethyl-carbamoyl)-methyl ester

Base Information

Chemical Name:Benzoic acid (carbamoylmethyl-carbamoyl)-methyl ester
CAS No.:106231-53-2
Molecular Formula:C11H12N2O4
Molecular Weight:236.227
Hs Code.:
ChEMBL ID:CHEMBL138699
DSSTox Substance ID:DTXSID40872107
Nikkaji Number:J1.553.238F

Synonyms:106231-53-2;CHEMBL138699;DTXSID40872107;2-[(2-Amino-2-oxoethyl)amino]-2-oxoethyl benzoate;Benzoic acid (carbamoylmethyl-carbamoyl)-methyl ester

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Supply Marketing:

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

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Chemical Property of Benzoic acid (carbamoylmethyl-carbamoyl)-methyl ester

Chemical Property:

XLogP3:0.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:236.07970687
Heavy Atom Count:17
Complexity:298

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)C(=O)OCC(=O)NCC(=O)N

Technology Process of Benzoic acid (carbamoylmethyl-carbamoyl)-methyl ester

There total 5 articles about Benzoic acid (carbamoylmethyl-carbamoyl)-methyl ester 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:

: 614-44-8
benzoyloxyacetic acid

: 106231-53-2
Benzoic acid (carbamoylmethyl-carbamoyl)-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

Reference yield:

: 532-32-1
sodium benzoate

: 106231-53-2
Benzoic acid (carbamoylmethyl-carbamoyl)-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

: 106231-53-2
Benzoic acid (carbamoylmethyl-carbamoyl)-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