(4-MORPHOLINYLPHENYLMETHYL)BENZOTRIAZOL&

Base Information

• Chemical Name: (4-MORPHOLINYLPHENYLMETHYL)BENZOTRIAZOL&
• CAS No.: 120803-36-3
• Molecular Formula: C17H18 N4 O
• Molecular Weight: 294.356
• Mol file: 120803-36-3.mol

Synonyms:1-(a-Morpholinobenzyl)-1H-benzotriazole

Chemical Property of (4-MORPHOLINYLPHENYLMETHYL)BENZOTRIAZOL&

Chemical Property:

• Melting Point: 100-106 °C(lit.)
• PSA: 51.97000
• LogP: 2.46930

Purity/Quality:

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of (4-MORPHOLINYLPHENYLMETHYL)BENZOTRIAZOL&

There total 2 articles about (4-MORPHOLINYLPHENYLMETHYL)BENZOTRIAZOL& 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) + 1,2,3-Benzotriazole (95-14-7,27556-51-0) + benzaldehyde (100-52-7) → 1-morpholino[(phenyl)methyl]benzotriazole (120803-36-3)

Guidance literature:

In benzene; Heating; Dean-Stark trap;

Reference yield:

N-<α-(benzotriazol-2-yl)phenylmethyl>morpholine (121239-02-9) → 1-morpholino[(phenyl)methyl]benzotriazole (120803-36-3)

Guidance literature:

In [D₃]acetonitrile; at 20 ℃; Thermodynamic data; Equilibrium constant; Kinetics; influence of other solvents, temperatures, effect of substituents in the benzotriazole ring, effect of the nature of secondary amine on equilibrium isomerisation process, ΔG⁰, ΔG^<*>;

Reference yield: 97.0%

1-morpholino[(phenyl)methyl]benzotriazole (120803-36-3) + hex-1-yne (693-02-7) → 4-(1-phenylhept-2-yn-1-yl)morpholine

Guidance literature:

With n-butyllithium; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 12h;

DOI:10.1002/hlca.200790173

upstream raw materials:

morpholine

1,2,3-Benzotriazole

benzaldehyde

N-<α-(benzotriazol-2-yl)phenylmethyl>morpholine

Downstream raw materials:

1-[(2R,3R)-3-((R)-Morpholin-4-yl-phenyl-methyl)-tetrahydro-furan-2-yl]-1H-benzotriazole

1-[(2S,3R)-3-((R)-Morpholin-4-yl-phenyl-methyl)-tetrahydro-furan-2-yl]-1H-benzotriazole

1-[(2R,3S)-3-((R)-Morpholin-4-yl-phenyl-methyl)-tetrahydro-furan-2-yl]-1H-benzotriazole

1-[(2S,3S)-3-((R)-Morpholin-4-yl-phenyl-methyl)-tetrahydro-furan-2-yl]-1H-benzotriazole

Refernces

• 1、 Katritzky, Alan R.,Yannakopoulou, Konstantina,Lue, Ping,Rasala, Danuta,Urogdi, Laszlo. "The Chemistry of N-Substituted Benzotriazoles. Part 14. Novel Routes to Secondary and Tertiary Amines and to N,N-Disubstituted Hydroxylamines". . p. 225 - 233. Retrieved 2007/10/02.
• 2、 Katritzky, Alan R.,Yannakopoulou, Konstantina. "THE CHEMISTRY OF N-SUBSTITUTED BENZOTRIAZOLES. PART 18. A STUDY OF THE INFLUENCE OF STRUCTURE ON THE 1- TO 2-(N,N-DIALKYLAMINOALKYL)BENZOTRIAZOLE EQUILIBRIUM". . p. 1121 - 1134. Retrieved 2007/10/02.