4-Morpholinebutanenitrile

Base Information

• Chemical Name: 4-Morpholinebutanenitrile
• CAS No.: 5807-11-4
• Molecular Formula: C8H14 N2 O
• Molecular Weight: 154.21
• Hs Code.: 2934999090
• European Community (EC) Number: 654-592-6
• NSC Number: 163377
• DSSTox Substance ID: DTXSID80303900
• Nikkaji Number: J2.446.119J
• Wikidata: Q72492820
• Mol file: 5807-11-4.mol

Synonyms:5807-11-4;4-morpholinobutanenitrile;4-Morpholinebutanenitrile;4-morpholin-4-ylbutanenitrile;4-(morpholin-4-yl)butanenitrile;4-morpholinobutyronitrile;4-MORPHOLINEBUTYRONITRILE;4-Morpholinobutanenitrile;4-Morpholinobutyronitrile;NSC 163377;4-(4-morpholinyl)butanenitrile;4-Morpholin-4-Yl-Butyronitrile;4-(Morpholin-4-yl)butyronitrile;NSC163377;SCHEMBL149409;DTXSID80303900;DNHBZJPTXSALLZ-UHFFFAOYSA-N;BBL027891;MFCD00023393;STL352122;AKOS000181029;NSC-163377;PS-4639;CS-0033760;FT-0619157;EN300-69017;AR-527/43405033

Chemical Property of 4-Morpholinebutanenitrile

Chemical Property:

• Vapor Pressure: 0.00321mmHg at 25°C
• Boiling Point: 283.2°Cat760mmHg
• PKA: 6.82±0.10(Predicted)
• Flash Point: 125.1°C
• PSA: 36.26000
• Density: 1.011g/cm³
• LogP: 0.56028
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 154.110613074
• Heavy Atom Count: 11
• Complexity: 143

Purity/Quality:

99% ^*data from raw suppliers

4-(Morpholin-4-yl)butanenitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCCN1CCCC#N

Technology Process of 4-Morpholinebutanenitrile

There total 5 articles about 4-Morpholinebutanenitrile 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: 99.0%

morpholine (110-91-8,99108-56-2) + 4-Chlorobutyronitrile (628-20-6) → 3-(morpholin-4-yl)-butanenitrile (5807-11-4)

Guidance literature:

With potassium carbonate; In acetonitrile; at 20 ℃; for 72h;

DOI:10.3390/molecules24122247

Reference yield: 95.0%

morpholine (110-91-8,99108-56-2) + cyano acrylate (1027379-53-8) → 3-(morpholin-4-yl)-butanenitrile (5807-11-4)

Guidance literature:

With aluminium incorporated mesoporous aluminosilicate nano-cage material; In neat (no solvent); at 20 ℃; for 0.333333h;

DOI:10.1016/j.molcata.2014.06.031

Reference yield: 94.2%

morpholine (110-91-8,99108-56-2) + 4-bromobutanenitrile (5332-06-9) → 3-(morpholin-4-yl)-butanenitrile (5807-11-4)

Guidance literature:

With potassium carbonate; In acetonitrile; at 20 ℃; for 6h; Inert atmosphere;

upstream raw materials:

morpholine

4-Chlorobutyronitrile

4-bromobutanenitrile

cyano acrylate

Downstream raw materials:

4-(4-aminobutyl)morpholine

2-fluoro-N-(4-morpholinobutyl)-4-nitroaniline

3-morpholinopropyl 2-(3-(trifluoromethyl)phenylamino)pyridine-3-carboxylate

4-(1-hydroxypropyl)morpholine

Refernces

• 1、 -. "Novel benzoazepine compound, composition and applications of novel benzoazepine compound and composition". Paragraph 0146-0150. . Retrieved 2021/05/29.
• 2、 Fyfe, Tim J.,Zarzycka, Barbara,Lim, Herman D.,Kellam, Barrie,Mistry, Shailesh N.,Katrich, Vsevolod,Scammells, Peter J.,Lane, J. Robert,Capuano, Ben. "A Thieno[2,3- d]pyrimidine Scaffold Is a Novel Negative Allosteric Modulator of the Dopamine D2 Receptor". . p. 174 - 206. Retrieved 2018/05/14.