2-Amino-3-(3-hydroxy-5-tert-butylisoxazol-4-yl)propionic acid

Base Information

Chemical Name:2-Amino-3-(3-hydroxy-5-tert-butylisoxazol-4-yl)propionic acid
CAS No.:140158-50-5
Molecular Formula:C₁₀H₁₆N₂O₄
Molecular Weight:228.248
Hs Code.:
DSSTox Substance ID:DTXSID10930723
Nikkaji Number:J468.922D
Wikidata:Q12062353
ChEMBL ID:CHEMBL113180
Mol file:140158-50-5.mol

Synonyms:2-amino-3-(3-hydroxy-5-tert-butylisoxazol-4-yl)propionic acid;2-amino-3-(hydroxy-5-tert-butylisoxazol-yl)propionic acid;alpha-amino-3-hydroxy-5-tert-butyl-4-isoxazolepropionate;alpha-amino-3-hydroxy-5-tert-butyl-4-isoxazolepropionate, (+-)-isomer;ATPA-tert

Suppliers and Price of 2-Amino-3-(3-hydroxy-5-tert-butylisoxazol-4-yl)propionic acid

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

Usbiological
ATPA
10mg
$ 480.00

TRC
(R,S)-ATPA
1mg
$ 130.00

Tocris
ATPA ≥98%(HPLC)
50
$ 936.00

Tocris
ATPA ≥98%(HPLC)
10
$ 227.00

Sigma-Aldrich
ATPA solid
5 mg
$ 285.00

CSNpharm
ATPA
5mg
$ 377.00

CSNpharm
ATPA
10mg
$ 638.00

ChemScene
ATPA >98.0%
5mg
$ 405.00

ChemScene
ATPA >98.0%
10mg
$ 685.00

ApexBio Technology
ATPA
50mg
$ 1362.00

Total 8 raw suppliers

Chemical Property of 2-Amino-3-(3-hydroxy-5-tert-butylisoxazol-4-yl)propionic acid

Chemical Property:

Vapor Pressure:2.38E-07mmHg at 25°C
Boiling Point:406.8°Cat760mmHg
PKA:2.15±0.10(Predicted)
Flash Point:199.9°C
PSA：109.58000
Density:1.264g/cm³
LogP:1.33240
Storage Temp.:Desiccate at +4°C
Solubility.:DMSO: 10 mg/mL
XLogP3:-1.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:228.11100700
Heavy Atom Count:16
Complexity:354

Purity/Quality:

98%Min ^*data from raw suppliers

ATPA ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)C1=C(C(=O)NO1)CC(C(=O)O)N

Technology Process of 2-Amino-3-(3-hydroxy-5-tert-butylisoxazol-4-yl)propionic acid

There total 13 articles about 2-Amino-3-(3-hydroxy-5-tert-butylisoxazol-4-yl)propionic acid 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: 77.0%

: 95406-73-8
ethyl α-(ethoxycarbonyl)-α-(acetylamino)-3-methoxy-5-tert-butylisoxazole-4-propionate

: 140158-50-5
(RS)-2-amino-3-(3-hydroxy-5-tert-butylisoxazol-4-yl)propionic acid

Guidance literature:: With hydrogen bromide; at 140 ℃; for 0.25h;
DOI:10.1021/jm50001a022

Reference yield: 30.0%

: 192439-92-2
2-Acetylamino-2-(5-tert-butyl-2-methoxymethyl-3-oxo-2,3-dihydro-isoxazol-4-ylmethyl)-malonic acid dimethyl ester

: 140158-50-5
(RS)-2-amino-3-(3-hydroxy-5-tert-butylisoxazol-4-yl)propionic acid

Guidance literature:: In trifluoroacetic acid; for 14h; Heating;
DOI:10.1016/S0223-5234(97)89085-X

Reference yield:

: 17094-34-7
ethyl pivaloylacetate

: 140158-50-5
(RS)-2-amino-3-(3-hydroxy-5-tert-butylisoxazol-4-yl)propionic acid

Guidance literature:: Multi-step reaction with 6 steps

1: 1.) sodium ethoxide / 1.) ethanol, RT, 2 h, 2.) ethanol, 60 deg C, 3 h

2: 75 percent / aq. hydroxylammonium chloride, NaOH / 1.67 h / -5 °C

3: 24.2 percent / diethyl ether / 2 h

4: N-bromosuccinimide (NBS), benzoyl peroxide / CCl₄ / 1.33 h / Heating

5: ethanol / 5 h / Heating

6: 77 percent / 48percent aq. hydrobromic acid / 0.25 h / 140 °C

With sodium hydroxide; N-Bromosuccinimide; Perbenzoic acid; hydroxylamine hydrochloride; hydrogen bromide; sodium ethanolate; In tetrachloromethane; diethyl ether; ethanol;
DOI:10.1021/jm50001a022