475469-14-8

Basic information

• Product Name: 1-benzyl-3-(hydroxymethyl)-3-Boc-amino pyrrolidine
• Synonyms: 1-benzyl-3-(hydroxymethyl)-3-Boc-amino pyrrolidine;tert-butyl 1-benzyl-3-(hydroxymethyl)pyrrolidin-3-ylcarbamate;[3-(HydroxyMethyl)-1-(phenylMethyl)-3-pyrrolidinyl]carbaMic Acid 1,1-DiMethylethyl Ester;N-[3-(HydroxyMethyl)-1-(phenylMethyl)-3-pyrrolidinyl]carbaMic Acid 1,1-DiMethylethyl Ester;tert-Butyl 1-benzyl-3-(hydroxymethyl)-3-pyrrolidinylcarbamate
• CAS NO: 475469-14-8
• Molecular Formula: C₁₇H₂₆N₂O₃
• Molecular Weight: 306.4
• Mol File: 475469-14-8.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 419.335°C at 760 mmHg
• Flash Point: 207.406°C
• Appearance: /
• Density: 1.147g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.562
• Storage Temp.: 2-8°C
• PKA: 11?+-.0.20(Predicted)
• CAS DataBase Reference: 1-benzyl-3-(hydroxymethyl)-3-Boc-amino pyrrolidine(CAS DataBase Reference)
• NIST Chemistry Reference: 1-benzyl-3-(hydroxymethyl)-3-Boc-amino pyrrolidine(475469-14-8)
• EPA Substance Registry System: 1-benzyl-3-(hydroxymethyl)-3-Boc-amino pyrrolidine(475469-14-8)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 475469-14-8(Hazardous Substances Data)

Usage

Description

1-Benzyl-3-(hydroxymethyl)-3-Boc-amino pyrrolidine is an organic compound with a molecular structure that features a pyrrolidine ring, a benzyl group, a hydroxymethyl group, and a Boc-protected amino group. It is a key intermediate in the synthesis of various pharmaceutical compounds due to its unique structural features and reactivity.

Uses

Used in Pharmaceutical Industry:
1-Benzyl-3-(hydroxymethyl)-3-Boc-amino pyrrolidine is used as a key intermediate in the synthesis of piperidinyl pyrrolidinyl methanone compounds. These compounds serve as renin inhibitors, which are crucial for the treatment of diseases associated with aspartic protease activity. By inhibiting renin, a key enzyme in the regulation of blood pressure, these compounds can help manage and treat hypertension and other related conditions.

InChI:InChI=1/C17H26N2O3/c1-16(2,3)22-15(21)18-17(13-20)9-10-19(12-17)11-14-7-5-4-6-8-14/h4-8,20H,9-13H2,1-3H3,(H,18,21)

Upstream product

• 24424-99-5 di-tert-butyl dicarbonate 
• 475469-13-7 3-amino-1-benzyl-3-hydroxymethylpyrrolidine 
• 145602-87-5 3-amino-1-benzylpyrrolidine-3-carboxylic acid 
• 475469-12-6 3-amino-1-benzyl-3-ethoxycarbonylpyrrolidine 

Downstream Products

• 475469-15-9 (3-hydroxymethyl-pyrrolidin-3-yl)-carbamic acid tert-butyl ester 

Relevant articles and documents

Synthesis and structure-activity relationships of novel 7-substituted 1,4-dihydro-4-oxo-1-(2-thiazolyl)-1,8-naphthyridine-3-carboxylic acids as antitumor agents. Part 1

In an attempt to search for clinically useful antitumor agents, we have discovered that a series of 1,7-disubstituted-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acids possessed moderate cytotoxic activity. We investigated the structure-acti