2-(2,2,8-Trimethyl-4h-[1,3]dioxino[4,5-c]pyridin-5-yl)ethanol

Base Information

• Chemical Name: 2-(2,2,8-Trimethyl-4h-[1,3]dioxino[4,5-c]pyridin-5-yl)ethanol
• CAS No.: 13462-49-2
• Molecular Formula: C12H17NO3
• Molecular Weight: 223.2683
• NSC Number: 106483
• DSSTox Substance ID: DTXSID50295949
• Wikidata: Q82036198
• Mol file: 13462-49-2.mol

Synonyms:13462-49-2;2-(2,2,8-trimethyl-4h-[1,3]dioxino[4,5-c]pyridin-5-yl)ethanol;NSC106483;DTXSID50295949;NSC-106483

Chemical Property of 2-(2,2,8-Trimethyl-4h-[1,3]dioxino[4,5-c]pyridin-5-yl)ethanol

Chemical Property:

• Vapor Pressure: 3.3E-05mmHg at 25°C
• Boiling Point: 340.5°C at 760 mmHg
• Flash Point: 159.8°C
• Density: 1.135g/cm³
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 223.12084340
• Heavy Atom Count: 16
• Complexity: 244

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC=C(C2=C1OC(OC2)(C)C)CCO

Technology Process of 2-(2,2,8-Trimethyl-4h-[1,3]dioxino[4,5-c]pyridin-5-yl)ethanol

There total 3 articles about 2-(2,2,8-Trimethyl-4h-[1,3]dioxino[4,5-c]pyridin-5-yl)ethanol 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:

chlorhydrate de la 5-(chloromethyl)-2,2,8-trimethyl-4H-1,3-dioxino<4,5-c>pyridine (6562-92-1) → α4,3-O-Isopropylidene-α5-pyridoxylmethanol (13462-49-2)

Guidance literature:

Multi-step reaction with 3 steps

1: dimethylsulfoxide

2: KOH / ethanol

3: LiAlH₄ / tetrahydrofuran

With potassium hydroxide; lithium aluminium tetrahydride; In tetrahydrofuran; ethanol; dimethyl sulfoxide;

DOI:10.1021/jm00315a013

Reference yield:

(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)-acetic acid (6563-00-4) → α4,3-O-Isopropylidene-α5-pyridoxylmethanol (13462-49-2)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran;

DOI:10.1021/jm00315a013

Reference yield:

2-(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)acetonitrile (6599-85-5) → α4,3-O-Isopropylidene-α5-pyridoxylmethanol (13462-49-2)

Guidance literature:

Multi-step reaction with 2 steps

1: KOH / ethanol

2: LiAlH₄ / tetrahydrofuran

With potassium hydroxide; lithium aluminium tetrahydride; In tetrahydrofuran; ethanol;

DOI:10.1021/jm00315a013

upstream raw materials:

(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)-acetic acid

chlorhydrate de la 5-(chloromethyl)-2,2,8-trimethyl-4H-1,3-dioxino<4,5-c>pyridine

2-(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)acetonitrile