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

Base Information

• Chemical Name: (2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methanol
• CAS No.: 1136-52-3
• Molecular Formula: C11H15 N O3
• Molecular Weight: 209.245
• Hs Code.: 2934999090
• European Community (EC) Number: 214-498-4
• NSC Number: 103697
• UNII: WDX5WR58LW
• DSSTox Substance ID: DTXSID70150480
• Nikkaji Number: J33.510J
• Wikidata: Q83016587
• ChEMBL ID: CHEMBL1595224
• Mol file: 1136-52-3.mol

Synonyms:2,2,8-trimethyl-4H-1-3-dioxino(4,5-c)pyridin-5-ylmethanol;TDPM

Chemical Property of (2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methanol

Chemical Property:

• Vapor Pressure: 6.03E-05mmHg at 25°C
• Melting Point: 111-112 °C
• Boiling Point: 331.9°Cat760mmHg
• PKA: 13.26±0.10(Predicted)
• Flash Point: 154.5°C
• PSA: 51.58000
• Density: 1.161g/cm³
• LogP: 1.52740
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 209.10519334
• Heavy Atom Count: 15
• Complexity: 232

Purity/Quality:

99.9% ^*data from raw suppliers

α4,3-O-IsopropylidenePyridoxine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC=C(C2=C1OC(OC2)(C)C)CO
• Uses: 2,2,8-trimethyl-4H-1,3-dioxino[4,5-c]pyridine-5-methanol is a Intermediate in the preparation of pharmaceuticals used to treat angina

Technology Process of (2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methanol

There total 12 articles about (2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methanol 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: 98.0%

pyridoxal hydrochloride (58-56-0) + 2,2-dimethoxy-propane (77-76-9) → (2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methanol (1136-52-3)

Guidance literature:

With toluene-4-sulfonic acid; In acetone; at 20 ℃;

Reference yield: 94.0%

5-hydroxy-6-methyl-3,4-pyridinedimethanol (65-23-6) + 2,2-dimethoxy-propane (77-76-9) → (2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methanol (1136-52-3)

Guidance literature:

5-hydroxy-6-methyl-3,4-pyridinedimethanol; 2,2-dimethoxy-propane; With sulfuric acid; In water; at 45 ℃; for 6h; Inert atmosphere;

In diethyl ether; pentane; at 40 ℃; for 0.5h;

DOI:10.1016/j.bmcl.2020.127342

Reference yield: 92.0%

pyridoxal hydrochloride (58-56-0) + 2,2-dimethoxy-propane (77-76-9) → (2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methanol (1136-52-3) + 1,5-dihydro-3,3,8-trimethyl<1,3>dioxepino<5,6-y>pyridin-9-ol (948-00-5)

Guidance literature:

With sulfuric acid; In dichloromethane; for 6h; Heating;

DOI:10.3891/acta.chem.scand.43-1009

upstream raw materials:

pyridoxal hydrochloride

(E)-3-Ureido-but-2-enoic acid ethyl ester

acetone

2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine-5-carboxaldehyde

Downstream raw materials:

succinic acid mono-(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-ylmethyl) ester

5-benzoyloxymethyl-2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine

2,2,8-trimethyl-5-(4-nitro-benzoyloxymethyl)-4H-[1,3]dioxino[4,5-c]pyridine

α⁴,3-O-isopropylidene-α⁵-pyridoxyl chloride