Benzoic acid propylcarbamoylmethyl ester

Base Information

Chemical Name:Benzoic acid propylcarbamoylmethyl ester
CAS No.:106231-51-0
Molecular Formula:C12H15NO3
Molecular Weight:221.256
Hs Code.:
ChEMBL ID:CHEMBL335367
DSSTox Substance ID:DTXSID90554744
Nikkaji Number:J1.552.869I
Wikidata:Q82435898

Synonyms:106231-51-0;Benzoic acid propylcarbamoylmethyl ester;CHEMBL335367;DTXSID90554744;2-Oxo-2-(propylamino)ethyl benzoate

Suppliers and Price of Benzoic acid propylcarbamoylmethyl ester

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 Benzoic acid propylcarbamoylmethyl ester

Chemical Property:

XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:221.10519334
Heavy Atom Count:16
Complexity:234

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCNC(=O)COC(=O)C1=CC=CC=C1

Technology Process of Benzoic acid propylcarbamoylmethyl ester

There total 5 articles about Benzoic acid propylcarbamoylmethyl 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

: 106231-51-0
Benzoic acid propylcarbamoylmethyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: 88 percent / SOCl₂ / 3 h / Heating

2: benzene / 1.5 h / Ambient temperature

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

Reference yield:

: 532-32-1
sodium benzoate

: 106231-51-0
Benzoic acid propylcarbamoylmethyl 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: benzene / 1.5 h / Ambient temperature

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

Reference yield:

: 64649-43-0
(aminocarbonyl)methyl benzoate

: 106231-51-0
Benzoic acid propylcarbamoylmethyl 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: benzene / 1.5 h / Ambient temperature

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