Benzoic acid diethylcarbamoylmethyl ester

Base Information

Chemical Name:Benzoic acid diethylcarbamoylmethyl ester
CAS No.:64649-63-4
Molecular Formula:C13H17NO3
Molecular Weight:235.283
Hs Code.:
ChEMBL ID:CHEMBL335150
DSSTox Substance ID:DTXSID50554745
Nikkaji Number:J1.607.591D
Wikidata:Q82435900

Synonyms:Benzoic acid diethylcarbamoylmethyl ester;64649-63-4;CHEMBL335150;SCHEMBL9653185;DTXSID50554745;2-(Diethylamino)-2-oxoethyl benzoate

Suppliers and Price of Benzoic acid diethylcarbamoylmethyl ester

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 0 raw suppliers

Chemical Property of Benzoic acid diethylcarbamoylmethyl ester

Chemical Property:

Melting Point:72.5°C
Refractive Index:1.4800 (estimate)
Boiling Point:377.67°C (rough estimate)
PSA：46.61000
Density:1.1200 (rough estimate)
LogP:1.71180
XLogP3:2.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:235.12084340
Heavy Atom Count:17
Complexity:255

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCN(CC)C(=O)COC(=O)C1=CC=CC=C1

Technology Process of Benzoic acid diethylcarbamoylmethyl ester

There total 6 articles about Benzoic acid diethylcarbamoylmethyl 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

: 64649-63-4
2-(benzoyloxy)-N,N-diethylacetamide

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:

: 2315-36-8
2-Chloro-N,N-diethylacetamide

: 65-85-0,8013-63-6
benzoic acid

: 64649-63-4
2-(benzoyloxy)-N,N-diethylacetamide

Guidance literature:: In N,N-dimethyl-formamide;
DOI:10.1021/jm00386a001

Reference yield:

: 532-32-1
sodium benzoate

: 64649-63-4
2-(benzoyloxy)-N,N-diethylacetamide

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