3-(tert-Butyl)-4-methylisoxazol-5-amine

Base Information

Chemical Name:3-(tert-Butyl)-4-methylisoxazol-5-amine
CAS No.:120771-21-3
Molecular Formula:C₈H₁₄N₂O
Molecular Weight:154.212
Hs Code.:
DSSTox Substance ID:DTXSID101246848
Mol file:120771-21-3.mol

Synonyms:3-(tert-Butyl)-4-methylisoxazol-5-amine;120771-21-3;3-TERT-BUTYL-4-METHYL-1,2-OXAZOL-5-AMINE;5-Isoxazolamine,3-(1,1-dimethylethyl)-4-methyl-(9CI);SCHEMBL573503;HJZLQSDADZDFFH-UHFFFAOYSA-N;DTXSID101246848;AKOS009336842;5-amino-4-methyl-3-tert-butylisoxazole;3-(1,1-Dimethylethyl)-4-methyl-5-isoxazolamine

Suppliers and Price of 3-(tert-Butyl)-4-methylisoxazol-5-amine

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

Crysdot
3-(tert-Butyl)-4-methylisoxazol-5-amine 95+%
5g
$ 1798.00

Crysdot
3-(tert-Butyl)-4-methylisoxazol-5-amine 95+%
1g
$ 598.00

Total 3 raw suppliers

Chemical Property of 3-(tert-Butyl)-4-methylisoxazol-5-amine

Chemical Property:

Boiling Point:259.4±28.0 °C(Predicted)
PKA:0.04±0.50(Predicted)
PSA：0.00000
Density:1.023±0.06 g/cm3(Predicted)
LogP:0.00000
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:154.110613074
Heavy Atom Count:11
Complexity:142

Purity/Quality:

97% ^*data from raw suppliers

3-(tert-Butyl)-4-methylisoxazol-5-amine 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=C(ON=C1C(C)(C)C)N

Technology Process of 3-(tert-Butyl)-4-methylisoxazol-5-amine

There total 2 articles about 3-(tert-Butyl)-4-methylisoxazol-5-amine 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:

: 29509-04-4
2,4,4-trimethyl-3-oxopentanenitrile

: 120771-21-3
3-(tert-butyl)-4-methylisoxazol-5-amine

Guidance literature:: With hydroxylamine hydrochloride; sodium acetate; In methanol; at 20 ℃;
DOI:10.1039/d0cc05807f

Reference yield:

: 59997-51-2
trimethylacetylacetonitrile

: 120771-21-3
3-(tert-butyl)-4-methylisoxazol-5-amine

Guidance literature:: Multi-step reaction with 2 steps

1.1: sodium hydride / N,N-dimethyl-formamide / 0.5 h / 0 °C

1.2: 0 - 20 °C

2.1: hydroxylamine hydrochloride; sodium acetate / methanol / 20 °C

With hydroxylamine hydrochloride; sodium acetate; sodium hydride; In methanol; N,N-dimethyl-formamide;
DOI:10.1039/d0cc05807f

Reference yield:

: 37051-70-0
4-methyl-N-(4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide

: 120771-21-3
3-(tert-butyl)-4-methylisoxazol-5-amine

: N-((3aR,8aR)-8a-amino-3-(tert-butyl)-3a-methyl-3a,8a-dihydrobenzofuro[3,2-d]isoxazol-5-yl)-4-methylbenzenesulfonamide

: N-((3aS,8aS)-8a-amino-3-(tert-butyl)-3a-methyl-3a,8a-dihydrobenzofuro[3,2-d]isoxazol-5-yl)-4-methylbenzenesulfonamide

Guidance literature:: With (R)-2,6-bis(naphthalen-2-yl)-4-oxo-3,5-dioxa-4λ⁵-phosphacyclohepta[2,1-a;3,4-a']dinapthalen-4-ol; In 1,2-dimethoxyethane; at 0 ℃; for 12h; Overall yield = 63 percent; enantioselective reaction;
DOI:10.1039/d0cc05807f