(3-Benzo[1,3]dioxol-5-YL-isoxazol-5-YL)-methanol

Base Information

Chemical Name:(3-Benzo[1,3]dioxol-5-YL-isoxazol-5-YL)-methanol
CAS No.:438565-34-5
Molecular Formula:C11H9 N O4
Molecular Weight:219.197
Hs Code.:2934999090
ChEMBL ID:CHEMBL4078850
DSSTox Substance ID:DTXSID50409463
Nikkaji Number:J1.693.845I
Wikidata:Q82215286
Mol file:438565-34-5.mol

Synonyms:438565-34-5;(3-BENZO[1,3]DIOXOL-5-YL-ISOXAZOL-5-YL)-METHANOL;(3-(BENZO[D][1,3]DIOXOL-5-YL)ISOXAZOL-5-YL)METHANOL;[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methanol;[3-(2H-1,3-Benzodioxol-5-yl)-1,2-oxazol-5-yl]methanol;[3-(1,3-Benzodioxol-5-yl)-5-isoxazolyl]methanol;CHEMBL4078850;SCHEMBL17055774;DTXSID50409463;MFCD06738495;AKOS005621325;AB27237;CS-0341091;A826443;(3-benzo[1,3]dioxol-5-yl-isoxazol-5-yl)methanol;[3-(1,3-benzodioxol-5-yl)isoxazol-5-yl]methanol;(3-(Benzo[d][1,3]dioxol-5-yl)isoxazol-5-yl)methanol

Suppliers and Price of (3-Benzo[1,3]dioxol-5-YL-isoxazol-5-YL)-methanol

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-Benzo[1,3]dioxol-5-yl-isoxazol-5-yl)-methanol
50mg
$ 155.00

J&W Pharmlab
(3-Benzo[1,3]dioxol-5-yl-isoxazol-5-yl)-methanol 95%
500mg
$ 299.00

J&W Pharmlab
(3-Benzo[1,3]dioxol-5-yl-isoxazol-5-yl)-methanol 95%
250mg
$ 199.00

J&W Pharmlab
(3-Benzo[1,3]dioxol-5-yl-isoxazol-5-yl)-methanol 95%
100mg
$ 149.00

J&W Pharmlab
(3-Benzo[1,3]dioxol-5-yl-isoxazol-5-yl)-methanol 95%
1g
$ 498.00

J&W Pharmlab
(3-Benzo[1,3]dioxol-5-yl-isoxazol-5-yl)-methanol 95%
5g
$ 1750.00

Crysdot
(3-(Benzo[d][1,3]dioxol-5-yl)isoxazol-5-yl)methanol 95+%
5g
$ 2160.00

Crysdot
(3-(Benzo[d][1,3]dioxol-5-yl)isoxazol-5-yl)methanol 95+%
250mg
$ 400.00

Crysdot
(3-(Benzo[d][1,3]dioxol-5-yl)isoxazol-5-yl)methanol 95+%
1g
$ 630.00

Chemenu
(3-Benzo[1,3]dioxol-5-yl-isoxazol-5-yl)-methanol 95%
1g
$ 464.00

Total 10 raw suppliers

Chemical Property of (3-Benzo[1,3]dioxol-5-YL-isoxazol-5-YL)-methanol

Chemical Property:

PSA：64.72000
LogP:1.56260
XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:219.05315777
Heavy Atom Count:16
Complexity:250

Purity/Quality:

99%, ^*data from raw suppliers

(3-Benzo[1,3]dioxol-5-yl-isoxazol-5-yl)-methanol ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1OC2=C(O1)C=C(C=C2)C3=NOC(=C3)CO

Technology Process of (3-Benzo[1,3]dioxol-5-YL-isoxazol-5-YL)-methanol

There total 10 articles about (3-Benzo[1,3]dioxol-5-YL-isoxazol-5-YL)-methanol 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:

: 2089-36-3,20747-41-5,20747-42-6
(E)-3,4-methylenedioxybenzaldehyde oxime

: 438565-34-5
(3-(benzo[d][1,3]dioxol-5-yl)isoxazol-5-yl)methanol

Guidance literature:: Multi-step reaction with 2 steps

1.1: N-chlorosuccinimide / CH₂Cl₂

2.1: DCC; DMAP; PEG-OCOCH₂CH₂COOH / CH₂Cl₂ / 16 h / 20 °C

2.2: Et₃N / CH₂Cl₂ / 20 °C

2.3: aq. NaOH / 3 h / 20 °C

With dmap; N-chloro-succinimide; PEG-OCOCH₂CH₂COOH; dicyclohexyl-carbodiimide; In dichloromethane;
DOI:10.1055/s-2002-33655

Reference yield:

: 61946-94-9
N-hydroxy-benzo[1,3]dioxole-5-carboximidoyl chloride

: 107-19-7
propargyl alcohol

: 438565-34-5
(3-(benzo[d][1,3]dioxol-5-yl)isoxazol-5-yl)methanol

Guidance literature:: propargyl alcohol; With dmap; PEG-OCOCH₂CH₂COOH; dicyclohexyl-carbodiimide; In dichloromethane; at 20 ℃; for 16h;

N-hydroxy-benzo[1,3]dioxole-5-carboximidoyl chloride; With triethylamine; In dichloromethane; at 20 ℃;

With sodium hydroxide; at 20 ℃; for 3h;
DOI:10.1055/s-2002-33655

Reference yield:

: 107-19-7
propargyl alcohol

: 2089-36-3
piperonal oxime

: 438565-34-5
(3-(benzo[d][1,3]dioxol-5-yl)isoxazol-5-yl)methanol

Guidance literature:: piperonal oxime; With pyridine; N-chloro-succinimide; In tetrahydrofuran; at 60 ℃; for 0.5h;

propargyl alcohol; With triethylamine; In tetrahydrofuran; at 50 ℃; for 2h;
DOI:10.1016/j.bmc.2004.06.011