2,2,8-Trimethyl-4H-[1,3]dioxino[4,5-c]pyridine-5-carboxamide

Base Information

• Chemical Name: 2,2,8-Trimethyl-4H-[1,3]dioxino[4,5-c]pyridine-5-carboxamide
• CAS No.: 1626-11-5
• Molecular Formula: C11H14N2O3
• Molecular Weight: 222.2405
• NSC Number: 103696
• UNII: 8SBH28IDC9
• DSSTox Substance ID: DTXSID10167411
• Wikidata: Q83036779
• Mol file: 1626-11-5.mol

Synonyms:1626-11-5;2,2,8-Trimethyl-4H-[1,3]dioxino[4,5-c]pyridine-5-carboxamide;8SBH28IDC9;NSC103696;UNII-8SBH28IDC9;NSC 103696;2,2,8-Trimethyl-4H-(1,3)dioxino(4,5-c)pyridine-5-carboxamide;NSC-103696;4H-1,3-Dioxino[4,5-c]pyridine-5-carboxamide, 2,2,8-trimethyl-;4H-1,3-DIOXINO(4,5-C)PYRIDINE-5-CARBOXAMIDE, 2,2,8-TRIMETHYL-;NCIOpen2_007168;SCHEMBL3443431;DTXSID10167411;2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine-5-carboxylic acid amide;4H-M-DIOXINO(4,5-C)PYRIDINE-5-CARBOXAMIDE, 2,2,8-TRIMETHYL-

Chemical Property of 2,2,8-Trimethyl-4H-[1,3]dioxino[4,5-c]pyridine-5-carboxamide

Chemical Property:

• Vapor Pressure: 0.000681mmHg at 25°C
• Boiling Point: 308.4°C at 760 mmHg
• PKA: 14.71±0.40(Predicted)
• Flash Point: 140.3°C
• PSA: 74.44000
• Density: 1.201g/cm³
• LogP: 1.83430
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 222.10044231
• Heavy Atom Count: 16
• Complexity: 293

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)C(=O)N

Technology Process of 2,2,8-Trimethyl-4H-[1,3]dioxino[4,5-c]pyridine-5-carboxamide

There total 4 articles about 2,2,8-Trimethyl-4H-[1,3]dioxino[4,5-c]pyridine-5-carboxamide 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: 69.0%

2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine-5-carboxaldehyde (6560-65-2) → 5-Carbamoyl-2,2,8-trimethyl-4H-m-dioxino<4,5-c>pyridin (1626-11-5)

Guidance literature:

2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine-5-carboxaldehyde; With ammonia; In isopropyl alcohol; at 0 ℃; for 0.5h;

With manganese(IV) oxide; In isopropyl alcohol; at 20 ℃; for 15h;

Reference yield:

(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methanol (1136-52-3) → 5-Carbamoyl-2,2,8-trimethyl-4H-m-dioxino<4,5-c>pyridin (1626-11-5)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. NaOH, KMnO₄ / acetone

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

With sodium hydroxide; potassium permanganate; In acetone;

Reference yield:

3,4'-O-isopropylidene-5-pyridoxic acid (2027-66-9) → 5-Carbamoyl-2,2,8-trimethyl-4H-m-dioxino<4,5-c>pyridin (1626-11-5)

Guidance literature:

Multistep reaction; (i) Et₃N, THF, (ii) ClCO₂Et, (iii) NH₃;

upstream raw materials:

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

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

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

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

Downstream raw materials:

5-Amino-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)-carbamic acid methyl ester

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

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