Benzyl 2-(2-benzylprop-2-enoylamino)acetate

Base Information Edit

Chemical Name:Benzyl 2-(2-benzylprop-2-enoylamino)acetate
CAS No.:87428-99-7
Molecular Formula:C19H19NO3
Molecular Weight:309.365
Hs Code.:
European Community (EC) Number:700-811-6
UNII:J7W7N3RH3U
DSSTox Substance ID:DTXSID00531405
Wikidata:Q82403244
Mol file:87428-99-7.mol

Synonyms:87428-99-7;benzyl 2-(2-benzylprop-2-enoylamino)acetate;2-Des(acetylthiomethyl)-2-methylene Racecadotril;J7W7N3RH3U;Benzyl ((2-benzylprop-2-enoyl)amino)acetate;Benzyl [(2-Benzylprop-2-enoyl)amino]acetate;UNII-J7W7N3RH3U;EC 700-811-6;SCHEMBL6796511;DTXSID00531405;YKINYFHTXSOMQZ-UHFFFAOYSA-N;benzyl (2-benzylacryloyl)glycinate;Benzyl N-(2-benzylacryloyl)glycinate;MFCD31563421;AKOS034834155;Glycine, N-(1-oxo-2-(phenylmethyl)-2-propen-1-yl)-, phenylmethyl ester;2-benzyl propenoyl-glycine benzyl ester;MS-20813;benzyl2-(2-benzylprop-2-enoylamino)acetate;N-(2-benzyl propenoyl)-glycine benzyl ester;NS00001608;RACECADOTRIL IMPURITY F [EP IMPURITY];N-(1-OXO-2-(PHENYLMETHYL)-2-PROPEN-1-YL)GLYCINE PHENYLMETHYL ESTER;N-[1-Oxo-2-(phenylmethyl)-2-propen-1-yl]glycine Phenylmethyl Ester;N-[1-Oxo-2-(phenylmethyl)-2-propenyl]glycine Phenylmethyl Ester;Racecadotril Impurity F;Benzyl[(2-benzylprop-2-enoyl)amino]acetate

Suppliers and Price of Benzyl 2-(2-benzylprop-2-enoylamino)acetate

Supply Marketing:Edit

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

TRC
2-Des(acetylthiomethyl)-2-methyleneRacecadotril
250mg
$ 185.00

Total 10 raw suppliers

Chemical Property of Benzyl 2-(2-benzylprop-2-enoylamino)acetate Edit

Chemical Property:

Melting Point:50-52°C
Boiling Point:524.9±50.0 °C(Predicted)
PKA:13.71±0.46(Predicted)
PSA：58.89000
Density:1.146±0.06 g/cm3(Predicted)
LogP:3.48520
Storage Temp.:Amber Vial, -20°C Freezer, Under inert atmosphere
Solubility.:Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:8
Exact Mass:309.13649347
Heavy Atom Count:23
Complexity:407

Purity/Quality:

99.9% ^*data from raw suppliers

2-Des(acetylthiomethyl)-2-methyleneRacecadotril ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C=C(CC1=CC=CC=C1)C(=O)NCC(=O)OCC2=CC=CC=C2
Uses An impurity of the antidiarrheal Racecadotril (R070600).

Technology Process of Benzyl 2-(2-benzylprop-2-enoylamino)acetate

There total 9 articles about Benzyl 2-(2-benzylprop-2-enoylamino)acetate 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: 90.1%

: 2462-31-9
benzyl 2-aminoacetate hydrochloride

: 88320-94-9
2-benzylpropenoyl chloride

: 87428-99-7
2-des(acetylthiomethyl)-2-methylene racecadotril

Guidance literature:: benzyl 2-aminoacetate hydrochloride; With triethylamine; In dichloromethane; at 20 ℃; for 0.5h; Industrial scale;

2-benzylpropenoyl chloride; In dichloromethane; at 5 ℃; for 1h; Industrial scale;

Reference yield: 90.1%

: 1738-76-7
glycine benzyl ester p-toluenesulfonic acid salt

: 88320-94-9
2-benzylpropenoyl chloride

: 87428-99-7
2-des(acetylthiomethyl)-2-methylene racecadotril

Guidance literature:: glycine benzyl ester p-toluenesulfonic acid salt; With triethylamine; In dichloromethane; at 20 ℃; for 0.5h; Industrial scale;

2-benzylpropenoyl chloride; In dichloromethane; at 0 ℃; for 1h; Industrial scale;