4-(Morpholine-4-carbonyl)benzonitrile

Base Information

Chemical Name:4-(Morpholine-4-carbonyl)benzonitrile
CAS No.:87294-97-1
Molecular Formula:C12H12N2O2
Molecular Weight:216.239
Hs Code.:2934999090
European Community (EC) Number:809-577-0
DSSTox Substance ID:DTXSID20581760
Nikkaji Number:J2.435.780E
Wikidata:Q82472995
Mol file:87294-97-1.mol

Synonyms:87294-97-1;4-(morpholine-4-carbonyl)benzonitrile;4-(morpholin-4-ylcarbonyl)benzonitrile;4-Isocyanobenzoic acid morpholide;SCHEMBL21524887;DTXSID20581760;AKOS000199509;4-[(morpholin-4-yl)carbonyl]benzonitrile;EN300-26753;Z31721383

Suppliers and Price of 4-(Morpholine-4-carbonyl)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

TRC
4-(morpholine-4-carbonyl)benzonitrile
100mg
$ 45.00

TRC
4-(morpholine-4-carbonyl)benzonitrile
500mg
$ 155.00

American Custom Chemicals Corporation
4-(MORPHOLIN-4-YLCARBONYL)BENZONITRILE 95.00%
2.5G
$ 852.21

American Custom Chemicals Corporation
4-(MORPHOLIN-4-YLCARBONYL)BENZONITRILE 95.00%
1G
$ 648.81

American Custom Chemicals Corporation
4-(MORPHOLIN-4-YLCARBONYL)BENZONITRILE 95.00%
5G
$ 1005.43

AK Scientific
4-(Morpholine-4-carbonyl)benzonitrile
10g
$ 886.00

AK Scientific
4-(Morpholine-4-carbonyl)benzonitrile
500mg
$ 223.00

A2B
4-(Morpholine-4-carbonyl)benzonitrile 95%
1g
$ 115.00

Total 6 raw suppliers

Chemical Property of 4-(Morpholine-4-carbonyl)benzonitrile

Chemical Property:

Melting Point:141-142 °C
Boiling Point:429.5±40.0 °C(Predicted)
PKA:-2.26±0.20(Predicted)
PSA：53.33000
Density:1.24±0.1 g/cm3(Predicted)
LogP:0.96858
XLogP3:0.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:216.089877630
Heavy Atom Count:16
Complexity:293

Purity/Quality:

97% ^*data from raw suppliers

4-(morpholine-4-carbonyl)benzonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1COCCN1C(=O)C2=CC=C(C=C2)C#N

Technology Process of 4-(Morpholine-4-carbonyl)benzonitrile

There total 18 articles about 4-(Morpholine-4-carbonyl)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%

: 557-21-1
zinc(II) cyanide

: 675618-10-7
(4-(methylthio)phenyl)(morpholino)methanone

: 87294-97-1
3-(piperidine-1-carbonyl)benzonitrile

Guidance literature:: With bis(1,5-cyclooctadiene)nickel ⁽⁰⁾; potassium acetate; 1,2-bis-(dicyclohexylphosphino)ethane; In 1,4-dioxane; at 110 ℃; for 16h; Glovebox;
DOI:10.1021/acs.orglett.1c02285

Reference yield: 96.0%

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

: 201230-82-2
carbon monoxide

: 623-00-7
4-bromobenzenecarbonitrile

: 87294-97-1
3-(piperidine-1-carbonyl)benzonitrile

Guidance literature:: With potassium carbonate; bis[2-(diphenylphosphino)phenyl] ether; In toluene; at 105 ℃; for 12h; under 3000.3 Torr;
DOI:10.1021/cs400232b

Reference yield: 93.0%

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

: 105-07-7
4-cyanobenzaldehyde

: 87294-97-1
3-(piperidine-1-carbonyl)benzonitrile

Guidance literature:: With bromobenzene; potassium carbonate; triphenylphosphine; palladium diacetate; In 1,2-dimethoxyethane; for 25h; Heating;
DOI:10.1055/s-1983-30388