Benzenebutanamide, N-[(2R)-2-pyrrolidinylmethyl]-

Base Information

Chemical Name:Benzenebutanamide, N-[(2R)-2-pyrrolidinylmethyl]-
CAS No.:828928-53-6
Molecular Formula:C15H22N2O
Molecular Weight:246.352
Hs Code.:
DSSTox Substance ID:DTXSID80464227
Wikidata:Q82289476

Synonyms:828928-53-6;(R)-4-Phenyl-N-(pyrrolidin-2-ylmethyl)butanamide;Benzenebutanamide, N-[(2R)-2-pyrrolidinylmethyl]-;DTXSID80464227

Suppliers and Price of Benzenebutanamide, N-[(2R)-2-pyrrolidinylmethyl]-

Supply Marketing:

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

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Chemical Property of Benzenebutanamide, N-[(2R)-2-pyrrolidinylmethyl]-

Chemical Property:

XLogP3:1.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:246.173213330
Heavy Atom Count:18
Complexity:249

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1CC(NC1)CNC(=O)CCCC2=CC=CC=C2
Isomeric SMILES:C1C[C@@H](NC1)CNC(=O)CCCC2=CC=CC=C2

Technology Process of Benzenebutanamide, N-[(2R)-2-pyrrolidinylmethyl]-

There total 3 articles about Benzenebutanamide, N-[(2R)-2-pyrrolidinylmethyl]- 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:

: 828928-49-0
(R)-2-[(4-phenylbutyrylamino)methyl]pyrrolidine-1-carboxylic acid tert-butyl ester

: 828928-53-6
(R)-4-phenyl-N-1-pyrrolidin-2-ylmethylbutyramide

Guidance literature:: With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 2h;
DOI:10.1021/jm040084c

Reference yield:

: 1821-12-1
4-Phenylbutyric acid

: 828928-53-6
(R)-4-phenyl-N-1-pyrrolidin-2-ylmethylbutyramide

Guidance literature:: Multi-step reaction with 2 steps

1: 94.6 percent / N,N-diisopropylethylamine; EDCI; HOBT / CH₂Cl₂ / 16 h / 20 °C

2: trifluoroacetic acid / CH₂Cl₂ / 2 h / 20 °C

With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; In dichloromethane;
DOI:10.1021/jm040084c

Reference yield:

: 259537-92-3
tert-butyl (2R)-2-(aminomethyl)pyrrolidine-1-carboxylate

: 828928-53-6
(R)-4-phenyl-N-1-pyrrolidin-2-ylmethylbutyramide

Guidance literature:: Multi-step reaction with 2 steps

1: 94.6 percent / N,N-diisopropylethylamine; EDCI; HOBT / CH₂Cl₂ / 16 h / 20 °C

2: trifluoroacetic acid / CH₂Cl₂ / 2 h / 20 °C

With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; In dichloromethane;
DOI:10.1021/jm040084c