Indeloxazine

Base Information

• Chemical Name: Indeloxazine
• CAS No.: 60929-23-9
• Deprecated CAS: 104908-37-4
• Molecular Formula: C14H17 N O2
• Molecular Weight: 231.294
• Hs Code.: 2934999090
• UNII: 834M09R1KM
• DSSTox Substance ID: DTXSID30866833
• Nikkaji Number: J23.658F
• Wikipedia: Indeloxazine
• Wikidata: Q15409427
• NCI Thesaurus Code: C81484
• Metabolomics Workbench ID: 67459
• ChEMBL ID: CHEMBL2105022
• Mol file: 60929-23-9.mol

Synonyms:2-(7-indenyloxymethyl)morpholine;AS1069562;indeloxazine;indeloxazine hydrochloride;indeloxazine hydrochloride, (+)-isomer;indeloxazine, (+)-isomer;YM 08054-1;YM-08054-1

Chemical Property of Indeloxazine

Chemical Property:

• Vapor Pressure: 1.18E-06mmHg at 25°C
• Boiling Point: 401.4°C at 760 mmHg
• PKA: 8.46±0.40(Predicted)
• Flash Point: 160.3°C
• PSA: 30.49000
• Density: 1.126g/cm³
• LogP: 1.95190
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 231.125928785
• Heavy Atom Count: 17
• Complexity: 279

Purity/Quality:

99%, ^*data from raw suppliers

INDELOXAZINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COC(CN1)COC2=CC=CC3=C2CC=C3
• Uses: Indeloxazine is used in pharmaceutical composition comprising tryptophan and phyllokinin derivative for use in treating psychiatric and psychological conditions.

Technology Process of Indeloxazine

There total 5 articles about Indeloxazine 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: 57.1%

4-morpholin-2-ylmethoxy-indan-1-ol (60929-60-4) → indeloxazine (60929-23-9,104908-33-0) + (+/-)-2-<(inden-4-yloxy)methyl>morpholine (60929-22-8)

Guidance literature:

In methanol; chloroform; toluene;

Reference yield:

6-(3H-Inden-4-yloxymethyl)-morpholin-3-one (104908-23-8) → indeloxazine (60929-23-9,104908-33-0)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; Yield given;

DOI:10.1248/cpb.33.3766

Reference yield:

1-Amino-3-(3H-inden-4-yloxy)-propan-2-ol (81542-44-1) → indeloxazine (60929-23-9,104908-33-0)

Guidance literature:

Multi-step reaction with 3 steps

1: Et₃N / CH₂Cl₂

2: MeONa / methanol

3: LiAlH₄ / tetrahydrofuran

With lithium aluminium tetrahydride; sodium methylate; triethylamine; In tetrahydrofuran; methanol; dichloromethane;

DOI:10.1248/cpb.33.3766

upstream raw materials:

6-(3H-Inden-4-yloxymethyl)-morpholin-3-one

1-Amino-3-(3H-inden-4-yloxy)-propan-2-ol

4-morpholin-2-ylmethoxy-indan-1-ol

Downstream raw materials:

(+/-)-2-<(inden-7-yloxy)methyl>-4-benzylmorphpoline

Refernces

• 1、 -. "2-(Indenyloxymethyl) morpholine derivatives". . . Retrieved 2008/06/13.