100066-79-3

Basic information

• Product Name: 1-BENZYL-2-AMINO-3-TERT-BUTOXYCARBONYL-4,5-DIMETHYLPYRROLE
• Synonyms: 1-BENZYL-2-AMINO-3-TERT-BUTOXYCARBONYL-4,5-DIMETHYLPYRROLE;1-Benzyl-2-aMino-3-BOC-4,5-diMethylpyrrole;tert-butyl 2-amino-1-benzyl-4,5-dimethyl-1H-pyrrole-3-carboxylate
• CAS NO: 100066-79-3
• Molecular Formula: C₁₈H₂₄N₂O₂
• Molecular Weight: 300.4
• Mol File: 100066-79-3.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 433.2°C at 760 mmHg
• Flash Point: 215.8°C
• Appearance: /
• Density: 1.08g/cm³
• Vapor Pressure: 1.04E-07mmHg at 25°C
• Refractive Index: 1.547
• CAS DataBase Reference: 1-BENZYL-2-AMINO-3-TERT-BUTOXYCARBONYL-4,5-DIMETHYLPYRROLE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-BENZYL-2-AMINO-3-TERT-BUTOXYCARBONYL-4,5-DIMETHYLPYRROLE(100066-79-3)
• EPA Substance Registry System: 1-BENZYL-2-AMINO-3-TERT-BUTOXYCARBONYL-4,5-DIMETHYLPYRROLE(100066-79-3)

Safety Data

• Hazardous Substances Data: 100066-79-3(Hazardous Substances Data)

Usage

General Description

1-BENZYL-2-AMINO-3-TERT-BUTOXYCARBONYL-4,5-DIMETHYLPYRROLE is a chemical compound consisting of a pyrrole ring with a benzyl group, an amino group, a tert-butoxycarbonyl group, and two methyl groups attached to it. It is commonly used in the field of organic chemistry as a building block for the synthesis of various heterocyclic compounds and pharmaceuticals. The presence of the amino and tert-butoxycarbonyl groups makes this compound a versatile intermediate for the preparation of diverse organic molecules with potential biological activity. Additionally, the benzyl group provides stability and protection to the amino group during chemical reactions, making it a valuable tool for the construction of complex organic molecules.

InChI:InChI=1/C18H24N2O2/c1-12-13(2)20(11-14-9-7-6-8-10-14)16(19)15(12)17(21)22-18(3,4)5/h6-10H,11,19H2,1-5H3

Upstream product

• 1116-98-9 cyanoacetic acid tert-butyl ester 
• 40513-26-6 3-benzylamino-butan-2-one 
• 513-86-0 3-hydroxy-2-butanon 
• 100-46-9 benzylamine 

Downstream Products

• 103846-35-1 7-benzyl-5,6-dimethyl-2,4-dioxo-1,2,4,7-tetrahydropyrrolo<2,3-d><1,3>-oxazine 
• 103846-43-1 1-benzyl-3-t-butoxycarbonyl-4,5-dimethyl-2-trifluoroacetylaminopyrrole 
• 156083-03-3 1-Benzyl-2-(3-chloro-benzoylamino)-4,5-dimethyl-1H-pyrrole-3-carboxylic acid tert-butyl ester 
• 156083-04-4 2-Benzoylamino-1-benzyl-4,5-dimethyl-1H-pyrrole-3-carboxylic acid tert-butyl ester 
• 142311-28-2 1-benzyl-2-amino-3-tert-butoxycarbonyl-7a-methyl-5-oxo-5,7a-dihydroindole 
• 104707-80-4 diethyl N-<1-benzyl-3-t-butoxycarbonyl-4,5-dimethylpyrrolo-2-yl>-aminomethylenemalonate 
• 106894-91-1 2-methyl-7-benzyl-5,6-dimethylpyrrolo<2,3-d>-1,3-oxazin-4-one 
• 131696-56-5 7-benzyl-2,5,6-trimethyl-3-aminopyrrolo[2,3-d]pyrimidin-4(3H)-one 
• 131696-53-2 N-benzyl-2,5,6-trimethyl-3-(p-methoxyphenyl)-4(3H)-oxo-pyrrolo[2,3-d]pyrimidine 
• 331993-25-0 N-(α-phenylacetaldehyde)-2,5,6-trimethyl-3-(p-methoxyphenyl)-4(3H)-oxo-pyrrolo[2,3-d]pyrimidine 
• 131696-52-1 2-acetylamino-1-benzyl-4,5-dimethyl-1H-pyrrole-3-carboxylic acid (4-methoxy-phenyl)-amide 
• 131696-54-3 N-benzyl-2-acetylamino-3-(o-aminophenylcarboxamido)-4,5-dimethylpyrrole 
• 108561-24-6 7-benzyl-5,6-dimethyl-2-phenylpyrrolo<2.3-d>-1,3-oxazine-4(7H)-one 
• 156083-13-5 2-Benzoylamino-1-benzyl-4,5-dimethyl-1H-pyrrole-3-carboxylic acid 

Relevant articles and documents

Synthesis of 2,7-disubstituted-5,6-dimethylpyrrolo-[2,3-d]-1,3-oxazin-4- ones as antifungal agents

A series of novel 5,6-dimethylpyrrolo[2,3-d]-1,3-oxazin-4-ones were synthesized from 2-amino-3-tert-butoxy-carbonyl-4,5-dimethylpyrroles. Two methods were used, cyclodehydration of 2-acylamino-3-carboxypyrroles with acetic anhydride and direct conversion of the 5,6-dimethylpyrrolo[2,3-d]- 1,3-oxazin-2,4-diones to the title compounds with an anhydride directly providing the 2 substituent. Molecular modeling techniques revealed that these pyrrolo[2,3-d]oxazinones were rigid analogues of the allylamine antifungals. The compounds were tested for in vitro activity against Tricophyton and Scopulariopsis sp.