3-Isopropylisoxazole-5-carbaldehyde

Base Information

Chemical Name:3-Isopropylisoxazole-5-carbaldehyde
CAS No.:121604-54-4
Molecular Formula:C₇H₉NO₂
Molecular Weight:139.154
Hs Code.:2934999090
European Community (EC) Number:888-642-5
Mol file:121604-54-4.mol

Synonyms:121604-54-4;3-Isopropylisoxazole-5-carbaldehyde;3-isopropyl-5-isoxazolecarbaldehyde;3-propan-2-yl-1,2-oxazole-5-carbaldehyde;5-Isoxazolecarboxaldehyde, 3-(1-methylethyl)- (9CI);3-(Propan-2-yl)-1,2-oxazole-5-carbaldehyde;3-Isopropyl-isoxazole-5-carbaldehyde;3-Isopropylisoxazole-5-carboxaldehyde;MFCD14702865;5-formyl-3-isopropylisoxazole;SCHEMBL9264809;WUWQUXNKNVGYRW-UHFFFAOYSA-N;WEA60454;AKOS005169206;FS-5331;CS-0237884;EN300-187852;G32131;Z1201627910

Suppliers and Price of 3-Isopropylisoxazole-5-carbaldehyde

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

TRC
3-Isopropylisoxazole-5-carbaldehyde
100mg
$ 175.00

Matrix Scientific
3-Isopropyl-isoxazole-5-carbaldehyde 95%+
10g
$ 1930.00

Matrix Scientific
3-Isopropyl-isoxazole-5-carbaldehyde 95%+
1g
$ 390.00

Matrix Scientific
3-Isopropyl-isoxazole-5-carbaldehyde 95%+
5g
$ 1190.00

Crysdot
3-Isopropylisoxazole-5-carbaldehyde 95+%
5g
$ 639.00

Crysdot
3-Isopropylisoxazole-5-carbaldehyde 95+%
10g
$ 1062.00

Chemenu
3-Isopropylisoxazole-5-carbaldehyde 95%
10g
$ 1000.00

Chemenu
3-Isopropylisoxazole-5-carbaldehyde 95%
5g
$ 603.00

ChemBridge Corporation
3-isopropyl-5-isoxazolecarbaldehyde 95%
200 μmol
$ 105.00

ChemBridge Corporation
3-isopropyl-5-isoxazolecarbaldehyde 95%
1 g
$ 300.00

Total 9 raw suppliers

Chemical Property of 3-Isopropylisoxazole-5-carbaldehyde

Chemical Property:

PSA：43.10000
LogP:1.61050
XLogP3:1.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:139.063328530
Heavy Atom Count:10
Complexity:125

Purity/Quality:

97% ^*data from raw suppliers

3-Isopropylisoxazole-5-carbaldehyde ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)C1=NOC(=C1)C=O

Technology Process of 3-Isopropylisoxazole-5-carbaldehyde

There total 3 articles about 3-Isopropylisoxazole-5-carbaldehyde 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: 86.0%

: 14633-17-1
(3-isopropylisooxazol-5-yl)methanol

: 121604-54-4
(3-isopropylisoxazol-5-yl)formaldehyde

Guidance literature:: (3-isopropylisooxazol-5-yl)methanol; With oxalyl dichloride; dimethyl sulfoxide; In dichloromethane; at -78 ℃; for 0.5h;

With triethylamine; In dichloromethane; at -78 - 20 ℃;
DOI:10.1002/anie.200902908

Reference yield:

: C₉H₁₄N₂O₃

: 121604-54-4
(3-isopropylisoxazol-5-yl)formaldehyde

Guidance literature:: With diisobutylaluminium hydride; In tetrahydrofuran; toluene; at -75 ℃; for 0.666667h; Inert atmosphere;

Reference yield:

: 14633-22-8
3-isopropylisoxazole-5-carboxylic acid

: 121604-54-4
(3-isopropylisoxazol-5-yl)formaldehyde

Guidance literature:: Multi-step reaction with 2 steps

1: N-ethyl-N,N-diisopropylamine; HATU / acetonitrile / 0.5 h / 20 °C

2: diisobutylaluminium hydride / toluene; tetrahydrofuran / 0.67 h / -75 °C / Inert atmosphere

With diisobutylaluminium hydride; N-ethyl-N,N-diisopropylamine; HATU; In tetrahydrofuran; toluene; acetonitrile;