3-Morpholin-4-yl-5-(trifluoromethyl)benzonitrile

Base Information

Chemical Name:3-Morpholin-4-yl-5-(trifluoromethyl)benzonitrile
CAS No.:220954-14-3
Molecular Formula:C₁₂H₁₁F₃N₂O
Molecular Weight:256.227
Hs Code.:2934999090
DSSTox Substance ID:DTXSID00455511
Nikkaji Number:J1.042.138A
Wikidata:Q82277562
Mol file:220954-14-3.mol

Synonyms:220954-14-3;3-Morpholino-5-(trifluoromethyl)benzonitrile;3-morpholin-4-yl-5-(trifluoromethyl)benzonitrile;3-Morpholin-4-yl-5-trifluoromethyl-benzonitrile;3-(morpholin-4-yl)-5-(trifluoromethyl)benzonitrile;SCHEMBL3530448;DTXSID00455511;MFCD11845701;AKOS015855875;AS-5540;FT-0682813;3-Morpholin-4-yl-5-trifluoromethylbenzonitrile;3-(4-Morpholinyl)-5-(trifluoromethyl)-benzonitrile

Suppliers and Price of 3-Morpholin-4-yl-5-(trifluoromethyl)benzonitrile

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

Matrix Scientific
3-Morpholin-4-yl-5-trifluoromethyl-benzonitrile 95+%
5g
$ 1015.00

Matrix Scientific
3-Morpholin-4-yl-5-trifluoromethyl-benzonitrile 95+%
1g
$ 284.00

Crysdot
3-Morpholino-5-(trifluoromethyl)benzonitrile 95+%
5g
$ 628.00

Alichem
3-Morpholino-5-(trifluoromethyl)benzonitrile
5g
$ 672.04

AK Scientific
3-Morpholin-4-yl-5-trifluoromethyl-benzonitrile
5g
$ 1420.00

Advanced Chemicals Intermediatesced Chemicals Intermediates
3-Morpholin-4-yl-5-trifluoromethyl-benzonitrile 95%+
5g
$ 420.50

Acints
3-Morpholin-4-yl-5-trifluoromethyl-benzonitrile 95%+
5g
$ 420.50

Acints
3-Morpholin-4-yl-5-trifluoromethyl-benzonitrile 95%+
1g
$ 108.75

Total 3 raw suppliers

Chemical Property of 3-Morpholin-4-yl-5-(trifluoromethyl)benzonitrile

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Boiling Point:360.812oC at 760 mmHg
Flash Point:172.013oC
PSA：36.26000
LogP:2.47868
XLogP3:2.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:256.08234746
Heavy Atom Count:18
Complexity:330

Purity/Quality:

98%min ^*data from raw suppliers

3-Morpholin-4-yl-5-trifluoromethyl-benzonitrile 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1COCCN1C2=CC(=CC(=C2)C(F)(F)F)C#N

Technology Process of 3-Morpholin-4-yl-5-(trifluoromethyl)benzonitrile

There total 1 articles about 3-Morpholin-4-yl-5-(trifluoromethyl)benzonitrile 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: 97.0%

: 110-91-8,99108-56-2
morpholine

: 149793-69-1
3-fluoro-5-trifluoromethyl-benzonitrile

: 220954-14-3
3-(4-morpholinyl)-5-(trifluoromethyl)-benzonitrile

Guidance literature:: In dimethyl sulfoxide; at 100 ℃; for 60h;
DOI:10.1016/S0040-4039(98)02570-2

Reference yield:

: 220954-14-3
3-(4-morpholinyl)-5-(trifluoromethyl)-benzonitrile

: 1095274-40-0
{5-[3-(4-morpholinyl)-5-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl}acetaic acid

Guidance literature:: Multi-step reaction with 4 steps

1: sodium hydroxide / ethanol; water / 24 h / Heating / reflux

2: 4-methyl-morpholine; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / N,N-dimethyl-formamide / 24 h / 20 °C

3: Burgess Reagent / dichloromethane / 0.17 h / 120 °C / Microwave irradition

4: sodium hydroxide; water / ethanol / 1 h / 20 °C

With 4-methyl-morpholine; sodium hydroxide; Burgess Reagent; water; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In ethanol; dichloromethane; water; N,N-dimethyl-formamide;

Reference yield:

: 220954-14-3
3-(4-morpholinyl)-5-(trifluoromethyl)-benzonitrile

: 1095274-39-7
ethyl {5-[3-(4-morpholinyl)-5-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl}acetate

Guidance literature:: Multi-step reaction with 3 steps

1: sodium hydroxide / ethanol; water / 24 h / Heating / reflux

2: 4-methyl-morpholine; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / N,N-dimethyl-formamide / 24 h / 20 °C

3: Burgess Reagent / dichloromethane / 0.17 h / 120 °C / Microwave irradition

With 4-methyl-morpholine; sodium hydroxide; Burgess Reagent; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In ethanol; dichloromethane; water; N,N-dimethyl-formamide;