Isoxazole, 3-methyl-5-(2R)-2-pyrrolidinyl- (9CI)

Base Information

• Chemical Name: Isoxazole, 3-methyl-5-(2R)-2-pyrrolidinyl- (9CI)
• CAS No.: 147402-72-0
• Molecular Formula: C₈H₁₂N₂O
• Molecular Weight: 152.196
• Hs Code.: 2934999090
• Mol file: 147402-72-0.mol

Synonyms:Isoxazole,3-methyl-5-(2-pyrrolidinyl)-, (R)-; 3-Methyl-5-[(2R)-pyrrolidinyl]isoxazole

Chemical Property of Isoxazole, 3-methyl-5-(2R)-2-pyrrolidinyl- (9CI)

Chemical Property:

• PSA: 38.06000
• LogP: 1.73630

Purity/Quality:

(S)-3-Methyl-5-(pyrrolidin-2-yl)isoxazolehydrobromide 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Isoxazole, 3-methyl-5-(2R)-2-pyrrolidinyl- (9CI)

There total 4 articles about Isoxazole, 3-methyl-5-(2R)-2-pyrrolidinyl- (9CI) 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: 78.0%

3-methyl-5-(N-(tert-butyloxycarbonyl)-2(R)-pyrrolidinyl)isoxazole (147402-71-9) → 3-methyl-5-(2(R)-pyrrolidinyl)isoxazole (147402-72-0,851434-82-7)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 0 ℃; for 1h;

DOI:10.1021/jm00052a005

Reference yield:

5-(1-Azido-but-3-enyl)-3-methyl-isoxazole → A 79814 (147402-52-6,851434-82-7) + 3-methyl-5-(2(R)-pyrrolidinyl)isoxazole (147402-72-0,851434-82-7)

Guidance literature:

With Diethylborane; In diethyl ether; Yield given; Ambient temperature;

DOI:10.1016/S0022-328X(98)00665-2

Reference yield:

tert-butyl (R)-2-ethynylpyrrolidine-1-carboxylate (130418-90-5) → 3-methyl-5-(2(R)-pyrrolidinyl)isoxazole (147402-72-0,851434-82-7)

Guidance literature:

Multi-step reaction with 2 steps

1: PhNCO, Et₃N / benzene

2: TFA / CH₂Cl₂

With phenyl isocyanate; triethylamine; trifluoroacetic acid; In dichloromethane; benzene;

upstream raw materials:

3-methyl-5-(N-(tert-butyloxycarbonyl)-2(R)-pyrrolidinyl)isoxazole

tert-butyl (R)-2-ethynylpyrrolidine-1-carboxylate

(R)-2-(2,2-dibromoethenyl)-1-pyrrolidinecarboxylic acid 1,1-dimethylethyl ester

Downstream raw materials:

A-81754