(S)-3-Methyl-5-(pyrrolidin-2-yl)isoxazole

Base Information

Chemical Name:(S)-3-Methyl-5-(pyrrolidin-2-yl)isoxazole
CAS No.:147402-52-6
Molecular Formula:C8H12 N2 O
Molecular Weight:152.196
Hs Code.:
UNII:58C4C6VV89
Nikkaji Number:J587.520J
ChEMBL ID:CHEMBL10096
Mol file:147402-52-6.mol

Synonyms:A 82695;A-79814;A-82695

Suppliers and Price of (S)-3-Methyl-5-(pyrrolidin-2-yl)isoxazole

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 2 raw suppliers

Chemical Property of (S)-3-Methyl-5-(pyrrolidin-2-yl)isoxazole

Chemical Property:

Boiling Point:267.7±28.0 °C(Predicted)
PKA:8.74±0.10(Predicted)
PSA：38.06000
Density:1.077±0.06 g/cm3(Predicted)
LogP:1.73630
XLogP3:0.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:152.094963011
Heavy Atom Count:11
Complexity:140

Purity/Quality:: 95% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=NOC(=C1)C2CCCN2
Isomeric SMILES:CC1=NOC(=C1)[C@@H]2CCCN2

Technology Process of (S)-3-Methyl-5-(pyrrolidin-2-yl)isoxazole

There total 11 articles about (S)-3-Methyl-5-(pyrrolidin-2-yl)isoxazole 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: 95.0%

: 147402-51-5
(S)-3-methyl-5-<1-(tert-butoxycarbonyl)-pyrrolidinyl>isoxazole

: 147402-52-6,851434-82-7
A 79814

Guidance literature:: With trifluoroacetic acid; In dichloromethane; for 1h; Ambient temperature;
DOI:10.1002/(SICI)1099-1344(199612)38:12<1099::AID-JLCR934>3.0.CO;2-G

Reference yield: 46.0%

: 124-63-0
methanesulfonyl chloride

: 147402-52-6,851434-82-7
A 79814

Guidance literature:: acetone oxime; With n-butyllithium; In tetrahydrofuran; hexane; at -5 - 0 ℃; for 1h;

tert-butyl (2S)-2-{[N-methoxy(N-methyl)amino]carbonyl}pyrrolidine-1-carboxylate; In tetrahydrofuran; hexane; at 0 ℃; for 3.5h;

methanesulfonyl chloride; With hydrogenchloride; ammonium chloride; triethylamine; more than 3 stages;