5H-Pyrano[4,3-b]pyridine-3-carboxylic acid, 7,8-dihydro-7,7-dimethyl-2-[[[(phenylmethyl)amino]thioxomethyl]amino]-, ethyl ester

Base Information

• Chemical Name: 5H-Pyrano[4,3-b]pyridine-3-carboxylic acid, 7,8-dihydro-7,7-dimethyl-2-[[[(phenylmethyl)amino]thioxomethyl]amino]-, ethyl ester
• CAS No.: 303965-56-2
• Molecular Formula: C21H25N3O3S
• Molecular Weight: 399.50700
• Mol file: 303965-56-2.mol

Synonyms:2-(3-Benzyl-thioureido)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylic acid ethyl ester;

Chemical Property of 5H-Pyrano[4,3-b]pyridine-3-carboxylic acid, 7,8-dihydro-7,7-dimethyl-2-[[[(phenylmethyl)amino]thioxomethyl]amino]-, ethyl ester

Chemical Property:

• PSA: 104.57000
• LogP: 4.06010

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 5H-Pyrano[4,3-b]pyridine-3-carboxylic acid, 7,8-dihydro-7,7-dimethyl-2-[[[(phenylmethyl)amino]thioxomethyl]amino]-, ethyl ester

There total 1 articles about 5H-Pyrano[4,3-b]pyridine-3-carboxylic acid, 7,8-dihydro-7,7-dimethyl-2-[[[(phenylmethyl)amino]thioxomethyl]amino]-, ethyl ester 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: 50.0%

Benzyl isothiocyanate (622-78-6) + ethyl 2-amino-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylate (267665-48-5) → 2-(N'-benzylthioureido)-3-ethoxycarbonyl-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine (303965-56-2)

Guidance literature:

In ethanol; for 10h; Heating;

DOI:10.1007/s10593-005-0079-6

Reference yield: 88.0%

2-(N'-benzylthioureido)-3-ethoxycarbonyl-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine (303965-56-2) → 3-benzyl-7,7-dimethyl-2-thioxo-1,2,3,5,7,8-hexahydro-6-oxa-1,3,9-triaza-anthracen-4-one (303051-70-9)

Guidance literature:

With potassium hydroxide; In ethanol; for 1h; Heating;

DOI:10.1007/s10593-005-0079-6

Reference yield:

2-(N'-benzylthioureido)-3-ethoxycarbonyl-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine (303965-56-2) → 3-benzyl-2-ethylsulfanyl-7,7-dimethyl-3,5,7,8-tetrahydro-6-oxa-1,3,9-triaza-anthracen-4-one

Guidance literature:

Multi-step reaction with 2 steps

1: 88 percent / KOH / aq. ethanol / 1 h / Heating

2: 92.3 percent / KOH / aq. ethanol / 40 °C

With potassium hydroxide; In ethanol;

DOI:10.1007/s10593-005-0079-6

upstream raw materials:

Benzyl isothiocyanate

ethyl 2-amino-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylate

Downstream raw materials:

3-benzyl-7,7-dimethyl-2-thioxo-1,2,3,5,7,8-hexahydro-6-oxa-1,3,9-triaza-anthracen-4-one