N-(4-Hydroxymethylbenzyl)-4-pyrrolidin-1-ylbenzamide

Base Information

Chemical Name:N-(4-Hydroxymethylbenzyl)-4-pyrrolidin-1-ylbenzamide
CAS No.:617691-15-3
Molecular Formula:C19H22N2O2
Molecular Weight:310.396
Hs Code.:
DSSTox Substance ID:DTXSID50462078

Synonyms:617691-15-3;N-(4-Hydroxymethylbenzyl)-4-pyrrolidin-1-ylbenzamide;N-(4-(Hydroxymethyl)benzyl)-4-(pyrrolidin-1-yl)benzamide;SCHEMBL3919573;DTXSID50462078;PRCJHBWEKQSLOK-UHFFFAOYSA-N

Suppliers and Price of N-(4-Hydroxymethylbenzyl)-4-pyrrolidin-1-ylbenzamide

Supply Marketing:

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

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Chemical Property of N-(4-Hydroxymethylbenzyl)-4-pyrrolidin-1-ylbenzamide

Chemical Property:

XLogP3:2.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:310.168127949
Heavy Atom Count:23
Complexity:366

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CCN(C1)C2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)CO

Technology Process of N-(4-Hydroxymethylbenzyl)-4-pyrrolidin-1-ylbenzamide

There total 1 articles about N-(4-Hydroxymethylbenzyl)-4-pyrrolidin-1-ylbenzamide 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: 79.0%

: 22090-27-3
4-(pyrrolidine-1-yl)benzoic acid

: 39895-56-2
4-hydroxymethyl-benzylamine

: 617691-15-3
N-(4-hydroxymethylbenzyl)-4-pyrrolidin-1-ylbenzamide

Guidance literature:: With dmap; benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; pyridine; at 20 ℃;
DOI:10.1021/jm030377q

Reference yield: 62.0%

: 617691-15-3
N-(4-hydroxymethylbenzyl)-4-pyrrolidin-1-ylbenzamide

: 617691-17-5
N-(4-formyl-benzyl)-4-pyrrolidin-1-yl-benzamide

Guidance literature:: N-(4-hydroxymethylbenzyl)-4-pyrrolidin-1-ylbenzamide; With oxalyl dichloride; dimethyl sulfoxide; In tetrahydrofuran; at -78 - -35 ℃; for 1.66667h;

With triethylamine; In tetrahydrofuran; at -78 - 0 ℃; for 1h;

Reference yield:

: 617691-15-3
N-(4-hydroxymethylbenzyl)-4-pyrrolidin-1-ylbenzamide

: N-[4-(2-hydroxycarbamoyl-vinyl)-benzyl]-4-pyrrolidin-1-yl-benzamide

Guidance literature:: Multi-step reaction with 3 steps

1: oxalyl chloride; DMSO; Et₃N / tetrahydrofuran / -78 - 0 °C

2: acetonitrile / 2 h / 60 °C

3: 35 percent / NH₂OH / methanol / 20 °C

With oxalyl dichloride; hydroxylamine; dimethyl sulfoxide; triethylamine; In tetrahydrofuran; methanol; acetonitrile; 1: Swern oxidation / 2: Wittig reaction;
DOI:10.1021/jm030377q