(S)-4-Benzyl-3-methylmorpholine

Base Information

• Chemical Name: (S)-4-Benzyl-3-methylmorpholine
• CAS No.: 120800-91-1
• Molecular Formula: C12 H17NO
• Molecular Weight: 191.26948
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID90477282
• Wikidata: Q82309674
• Mol file: 120800-91-1.mol

Synonyms:(S)-4-Benzyl-3-methylmorpholine;120800-91-1;(3S)-4-BENZYL-3-METHYLMORPHOLINE;SCHEMBL1189298;DTXSID90477282;GXNBKAFYCHTQPI-NSHDSACASA-N;AKOS016844302;s11139;(3S)-3-methyl-4-(phenylmethyl)morpholine;CS-0454168;A906805

Chemical Property of (S)-4-Benzyl-3-methylmorpholine

Chemical Property:

• PSA: 12.47000
• LogP: 1.84520
• Storage Temp.: 2-8°C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 191.131014166
• Heavy Atom Count: 14
• Complexity: 166

Purity/Quality:

97% ^*data from raw suppliers

(S)-4-Benzyl-3-methylmorpholine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1COCCN1CC2=CC=CC=C2
• Isomeric SMILES: C[C@H]1COCCN1CC2=CC=CC=C2

Technology Process of (S)-4-Benzyl-3-methylmorpholine

There total 7 articles about (S)-4-Benzyl-3-methylmorpholine 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: 90.0%

(2-Allyloxy-ethyl)-benzyl-amine (127536-05-4) → 4-benzyl-3-methylmorpholine (32730-44-2,74571-98-5,120800-91-1)

Guidance literature:

With silver tetrafluoroborate; C₃₆H₂₆I₂N₄Pt; In benzene; at 80 ℃; for 48h; Inert atmosphere;

DOI:10.1016/j.tet.2012.02.060

Reference yield: 82.0%

(5S)-5-methyl-4-(phenylmethyl)-3-morpholinone (119128-21-1) → (3S)-3-methyl-4-(phenylmethyl)morpholine (120800-91-1)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 24h; Ambient temperature;

Reference yield:

(S)-N-benzylalaninol (6940-80-3,6940-81-4) → (3S)-3-methyl-4-(phenylmethyl)morpholine (120800-91-1)

Guidance literature:

Multi-step reaction with 3 steps

1: triethylamine / CH₂Cl₂

2: sodium hydride / tetrahydrofuran / 12 h / Ambient temperature

3: 82 percent / lithium aluminium hydride / tetrahydrofuran / 24 h / Ambient temperature

With lithium aluminium tetrahydride; sodium hydride; triethylamine; In tetrahydrofuran; dichloromethane;

upstream raw materials:

2-bromo-1-(2-chloro-ethoxy)-propane

benzylamine

(2-Allyloxy-ethyl)-benzyl-amine

(5S)-5-methyl-4-(phenylmethyl)-3-morpholinone

Downstream raw materials:

(S)-3-methylmorpholine