[3-(4-Chlorophenyl)-5-isoxazolyl]methanamine

Base Information

Chemical Name:[3-(4-Chlorophenyl)-5-isoxazolyl]methanamine
CAS No.:66046-42-2
Molecular Formula:C10H9ClN2O
Molecular Weight:208.647
Hs Code.:2934999090
European Community (EC) Number:842-509-8
DSSTox Substance ID:DTXSID10377331
Wikidata:Q82166509
Mol file:66046-42-2.mol

Synonyms:66046-42-2;[3-(4-chlorophenyl)-5-isoxazolyl]methanamine;[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methanamine;(3-(4-Chlorophenyl)isoxazol-5-yl)methanamine;[3-(4-chlorophenyl)isoxazol-5-yl]methylamine;1-[3-(4-chlorophenyl)-5-isoxazolyl]methanamine;1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methanamine;5-aminomethyl-3-(4-chlorophenyl)isoxazole;SCHEMBL2900978;DTXSID10377331;TWDAWKIAUQCSLF-UHFFFAOYSA-N;BDBM600923;MFCD01935956;STK506105;US11634391, Compound 167;AKOS005070846;6M-343S;5-aminomethyl-3-p-chlorophenylisoxazole;3-p-chlorophenyl-5-aminomethyl-isoxazole;[3-(Chlorophenyl)-5-isoxazolyl]methanamine;BB 0304011;CS-0241325;FT-0679630;EN300-232372;J-501075;[3-(4-chlorophenyl)-5-isoxazolyl]methanamine, AldrichCPR

Suppliers and Price of [3-(4-Chlorophenyl)-5-isoxazolyl]methanamine

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-(4-chlorophenyl)isoxazol-5-yl]methylamine
100mg
$ 65.00

Matrix Scientific
[3-(4-Chlorophenyl)-5-isoxazolyl]methanamine
500mg
$ 195.00

Crysdot
(3-(4-Chlorophenyl)isoxazol-5-yl)methanamine 95+%
5g
$ 527.00

Chemenu
(3-(4-Chlorophenyl)isoxazol-5-yl)methanamine 95%
5g
$ 497.00

ChemBridge Corporation
1-[3-(4-chlorophenyl)-5-isoxazolyl]methanamine 95%
250 mg
$ 99.00

Biosynth Carbosynth
{[3-(4-Chlorophenyl)isoxazol-5-yl]methyl}amine
1 g
$ 450.00

Biosynth Carbosynth
{[3-(4-Chlorophenyl)isoxazol-5-yl]methyl}amine
500 mg
$ 300.00

Biosynth Carbosynth
{[3-(4-Chlorophenyl)isoxazol-5-yl]methyl}amine
250 mg
$ 175.00

Biosynth Carbosynth
{[3-(4-Chlorophenyl)isoxazol-5-yl]methyl}amine
100 mg
$ 120.00

Biosynth Carbosynth
{[3-(4-Chlorophenyl)isoxazol-5-yl]methyl}amine
50 mg
$ 80.00

Total 12 raw suppliers

Chemical Property of [3-(4-Chlorophenyl)-5-isoxazolyl]methanamine

Chemical Property:

Vapor Pressure:1.19E-05mmHg at 25°C
Melting Point:113-115°C
Boiling Point:369.4°C at 760 mmHg
PKA:7.72±0.29(Predicted)
Flash Point:177.2°C
PSA：52.05000
Density:1.282g/cm³
LogP:3.15400
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:208.0403406
Heavy Atom Count:14
Complexity:183

Purity/Quality:

98%Min ^*data from raw suppliers

[3-(4-chlorophenyl)isoxazol-5-yl]methylamine ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:T
Statements: 36/37/38-25
Safety Statements: 26-36/37/39-45

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1C2=NOC(=C2)CN)Cl

Technology Process of [3-(4-Chlorophenyl)-5-isoxazolyl]methanamine

There total 10 articles about [3-(4-Chlorophenyl)-5-isoxazolyl]methanamine 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: 62.0%

: 3717-24-6
4-chlorobenzaldehyde oxime

: 2450-71-7
Propargylamine

: 66046-42-2
(3-(4-chlorophenyl)isoxazol-5-yl)methanamine

Guidance literature:: 4-chlorobenzaldehyde oxime; With N-chloro-succinimide; In dichloromethane; for 0.333333h; Heating / reflux;

Propargylamine; With triethylamine; In dichloromethane; for 2h; Heating / reflux;

Reference yield:

: 66046-43-3
1-[[3-(4-chlorophenyl)-5-isoxazolyl]methyl]-3,5,7-triaza-1-azoniaadamantane bromide

: 66046-42-2
(3-(4-chlorophenyl)isoxazol-5-yl)methanamine

Guidance literature:: With hydrogenchloride; In methanol;

Reference yield:

: 3848-36-0
4-chlorobenzaldoxime

: 66046-42-2
(3-(4-chlorophenyl)isoxazol-5-yl)methanamine

Guidance literature:: Multi-step reaction with 3 steps

1: sodium hypochlorite; triethylamine / dichloromethane; water / 0 - 20 °C

2: N,N-dimethyl-formamide / 5 h / 20 °C

3: hydrazine hydrate / ethanol / 5 h / Reflux

With sodium hypochlorite; hydrazine hydrate; triethylamine; In ethanol; dichloromethane; water; N,N-dimethyl-formamide; 3: Gabriel reaction;
DOI:10.1021/jf902541w