Kribb3

Base Information

Chemical Name:Kribb3
CAS No.:129414-88-6
Molecular Formula:C₁₉H₁₉NO₄
Molecular Weight:325.364
Hs Code.:
European Community (EC) Number:634-180-2
DSSTox Substance ID:DTXSID00425315
Nikkaji Number:J2.270.866J
Wikidata:Q82238136
ChEMBL ID:CHEMBL1552019
Mol file:129414-88-6.mol

Synonyms:5-(5-ethyl-2-hydroxy-4-methoxyphenyl)-4-(4-methoxyphenyl)isoxazole;KRIBB 3;KRIBB-3;KRIBB3

Suppliers and Price of Kribb3

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
KRIBB3
5mg
$ 280.00

DC Chemicals
KRIBB3 >98%
1 g
$ 2600.00

DC Chemicals
KRIBB3 >98%
250 mg
$ 1300.00

DC Chemicals
KRIBB3 >98%
100 mg
$ 650.00

Cayman Chemical
KRIBB3 ≥98%
5mg
$ 272.00

American Custom Chemicals Corporation
5-(5-ETHYL-2-HYDROXY-4-METHOXYPHENYL)-4-(4-METHOXYPHENYL)ISOXAZOLE 95.00%
5MG
$ 849.97

AK Scientific
Kribb3
5mg
$ 467.00

Total 7 raw suppliers

Chemical Property of Kribb3

Chemical Property:

Melting Point:147-148 °C
Boiling Point:467.5±45.0 °C(Predicted)
PKA:8.51±0.48(Predicted)
Density:1.181±0.06 g/cm3(Predicted)
Storage Temp.:−20°C
XLogP3:4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:325.13140809
Heavy Atom Count:24
Complexity:386

Purity/Quality:

97% ^*data from raw suppliers

KRIBB3 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xn
Statements: 22

MSDS Files:

Useful:

Canonical SMILES:CCC1=CC(=C(C=C1OC)O)C2=C(C=NO2)C3=CC=C(C=C3)OC

Technology Process of Kribb3

There total 10 articles about Kribb3 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: 92.0%

: 853917-06-3
5-(2-benzyloxy-5-ethyl-4-methoxyphenyl)-4-(4-methoxyphenyl)isoxazole

: 129414-88-6
KRIBB₃

Guidance literature:: With hydrogen; palladium 10% on activated carbon; In ethyl acetate; for 14h; under 2585.81 Torr;

Reference yield:

: 37470-83-0
5-ethyl-2,4-dihydroxy-benzaldehyde

: 129414-88-6
KRIBB₃

Guidance literature:: Multi-step reaction with 7 steps

1: potassium carbonate / N,N-dimethyl-formamide / 5 h / 20 °C

2: potassium carbonate / N,N-dimethyl-formamide / 1 h / 20 °C

3: tetrahydrofuran / 1 h / 0 - 20 °C

4: tetrapropylammonium perruthennate; 4-methylmorpholine N-oxide / dichloromethane / 0.5 h / Molecular sieve

5: toluene / 16 h / 135 °C

6: hydroxylamine hydrochloride; sodium hydrogencarbonate; acetic acid / methanol / 2 h / pH 4 - 5 / Heating

7: palladium 10% on activated carbon; hydrogen / ethyl acetate / 14 h / 3102.97 Torr

With tetrapropylammonium perruthennate; palladium 10% on activated carbon; hydroxylamine hydrochloride; hydrogen; sodium hydrogencarbonate; potassium carbonate; acetic acid; 4-methylmorpholine N-oxide; In tetrahydrofuran; methanol; dichloromethane; ethyl acetate; N,N-dimethyl-formamide; toluene;
DOI:10.1080/00397911.2010.546551

Reference yield:

: 2896-60-8
4-ethyl-1,3-benzenediol

: 129414-88-6
KRIBB₃

Guidance literature:: Multi-step reaction with 8 steps

1.1: trichlorophosphate / 0.5 h / 10 °C

1.2: 1 h / 20 °C

2.1: potassium carbonate / N,N-dimethyl-formamide / 5 h / 20 °C

3.1: potassium carbonate / N,N-dimethyl-formamide / 1 h / 20 °C

4.1: tetrahydrofuran / 1 h / 0 - 20 °C

5.1: tetrapropylammonium perruthennate; 4-methylmorpholine N-oxide / dichloromethane / 0.5 h / Molecular sieve

6.1: toluene / 16 h / 135 °C

7.1: hydroxylamine hydrochloride; sodium hydrogencarbonate; acetic acid / methanol / 2 h / pH 4 - 5 / Heating

8.1: palladium 10% on activated carbon; hydrogen / ethyl acetate / 14 h / 3102.97 Torr

With tetrapropylammonium perruthennate; palladium 10% on activated carbon; hydroxylamine hydrochloride; hydrogen; sodium hydrogencarbonate; potassium carbonate; acetic acid; 4-methylmorpholine N-oxide; trichlorophosphate; In tetrahydrofuran; methanol; dichloromethane; ethyl acetate; N,N-dimethyl-formamide; toluene;
DOI:10.1080/00397911.2010.546551