Trifluoro(morpholin-4-ium-4-ylmethyl)boranuide

Base Information

• Chemical Name: Trifluoro(morpholin-4-ium-4-ylmethyl)boranuide
• CAS No.: 1268340-94-8
• Molecular Formula: C5H11BF3NO
• Molecular Weight: 168.9531496
• Hs Code.: 2840209090
• European Community (EC) Number: 689-896-8
• DSSTox Substance ID: DTXSID40692882
• Nikkaji Number: J2.943.888I
• Mol file: 1268340-94-8.mol

Synonyms:1268340-94-8;trifluoro(morpholin-4-ium-4-ylmethyl)boranuide;(Morpholinium-4-ylmethyl)trifluoroborate Internal salt;(MorpholiniuM-4-ylMethyl)trifluoroborate internal salt, 95per cent;C5H11BF3NO;[(Morpholin-4-ium-4-yl)methyl]trifluoroborate;(Morpholinium-4-yl-methyl)trifluoroborate internal salt;DTXSID40692882;(Morpholinium-4-Ylmethyl)Trifluoroborate Internal Salt, 95%;MFCD20134168;AKOS015991253;Borate(1-), trifluoro(4-morpholinylmethyl)-, hydrogen (1:1), (T-4)-;BS-2005;Morpholinium-4-ylmethyltrifluoroboronanion;CS-0443900;D97773;trifluoro[(morpholin-4-ium-4-yl)methyl]boranuide;Trifluoro[(morpholin-4-ium-4-yl)methyl]borate(1-)

Chemical Property of Trifluoro(morpholin-4-ium-4-ylmethyl)boranuide

Chemical Property:

• Melting Point: 170-172℃
• PSA: 13.67000
• LogP: 1.27560
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 169.0885786
• Heavy Atom Count: 11
• Complexity: 123

Purity/Quality:

98% ^*data from raw suppliers

[(Morpholin-4-ium-4-yl)methyl]trifluoroborate 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: [B-](C[NH+]1CCOCC1)(F)(F)F

Technology Process of Trifluoro(morpholin-4-ium-4-ylmethyl)boranuide

There total 1 articles about Trifluoro(morpholin-4-ium-4-ylmethyl)boranuide 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: 87.0%

morpholine (110-91-8,99108-56-2) + potassium chloromethyltrifluoroborate → (morpholinium-4-ylmethyl)trifluoroborate internal salt (1268340-94-8)

Guidance literature:

In tetrahydrofuran; tert-butyl alcohol; at 80 ℃; for 1.5h; Inert atmosphere;

DOI:10.1021/jo2001066

Reference yield: 85.0%

4-chloromethoxybenzene (623-12-1) + (morpholinium-4-ylmethyl)trifluoroborate internal salt (1268340-94-8) → 4-(4-methoxy-benzyl)-morpholine (17494-29-0)

Guidance literature:

With palladium diacetate; caesium carbonate; XPhos; In tetrahydrofuran; water; at 80 ℃; for 45h;

DOI:10.1021/jo2001066

Reference yield: 64.0%

3-Chloropyridine (626-60-8) + (morpholinium-4-ylmethyl)trifluoroborate internal salt (1268340-94-8) → 3-(4-morpholinylmethyl)-pyridine (17751-47-2)

Guidance literature:

With palladium diacetate; caesium carbonate; XPhos; In tetrahydrofuran; water; at 80 ℃; for 45h;

DOI:10.1021/jo2001066

upstream raw materials:

morpholine

Downstream raw materials:

3-(4-morpholinylmethyl)-pyridine

4-(4-methoxy-benzyl)-morpholine

Refernces