2,2,8-Trimethyl-4h-[1,3]dioxino[4,5-c]pyridin-5-amine

Base Information

• Chemical Name: 2,2,8-Trimethyl-4h-[1,3]dioxino[4,5-c]pyridin-5-amine
• CAS No.: 1626-12-6
• Molecular Formula: C₁₀H₁₄N₂O₂
• Molecular Weight: 194.233
• NSC Number: 103694
• DSSTox Substance ID: DTXSID00295651
• Wikidata: Q82035692
• Mol file: 1626-12-6.mol

Synonyms:2,2,8-trimethyl-4h-[1,3]dioxino[4,5-c]pyridin-5-amine;1626-12-6;NSC103694;NCIOpen2_001706;SCHEMBL3442296;DTXSID00295651;NSC-103694;A810466;2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-amine;4-Ethylbenzoyl Chloride

Chemical Property of 2,2,8-Trimethyl-4h-[1,3]dioxino[4,5-c]pyridin-5-amine

Chemical Property:

• Vapor Pressure: 0.000177mmHg at 25°C
• Boiling Point: 329.4°C at 760 mmHg
• Flash Point: 153°C
• Density: 1.152g/cm³
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 194.105527694
• Heavy Atom Count: 14
• Complexity: 220

Purity/Quality:

99% ^*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)N

Technology Process of 2,2,8-Trimethyl-4h-[1,3]dioxino[4,5-c]pyridin-5-amine

There total 5 articles about 2,2,8-Trimethyl-4h-[1,3]dioxino[4,5-c]pyridin-5-amine 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: 70.0%

methanol (67-56-1) + 5-Carbamoyl-2,2,8-trimethyl-4H-m-dioxino<4,5-c>pyridin (1626-11-5) → (2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)-carbamic acid methyl ester (885338-58-9) + 5-Amino-2,2,8-trimethyl-4H-m-dioxino<4,5-c>pyridin (1626-12-6)

Guidance literature:

With sodium hydroxide; chlorine; In water; at 20 - 50 ℃; for 0.55h;

Reference yield:

(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methanol (1136-52-3) → 5-Amino-2,2,8-trimethyl-4H-m-dioxino<4,5-c>pyridin (1626-12-6)

Guidance literature:

Multi-step reaction with 3 steps

1: aq. NaOH, KMnO₄ / acetone

2: (i) Et₃N, THF, (ii) ClCO₂Et, (iii) NH₃

3: aq. NaOCl

With sodium hydroxide; sodium hypochlorite; potassium permanganate; In acetone;

Reference yield:

3,4'-O-isopropylidene-5-pyridoxic acid (2027-66-9) → 5-Amino-2,2,8-trimethyl-4H-m-dioxino<4,5-c>pyridin (1626-12-6)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) Et₃N, THF, (ii) ClCO₂Et, (iii) NH₃

2: aq. NaOCl

With sodium hypochlorite;

upstream raw materials:

5-Carbamoyl-2,2,8-trimethyl-4H-m-dioxino<4,5-c>pyridin

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

3,4'-O-isopropylidene-5-pyridoxic acid

2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine-5-carboxylic acid methyl ester

Downstream raw materials:

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

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

7-hydroxy-6-methyl-1H-furo[3,4-c]pyridin-3-one