N-butyl-3-ethyl-N,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide

Base Information

• Chemical Name: N-butyl-3-ethyl-N,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
• CAS No.: 6770-44-1
• Molecular Formula: C34H52 O5 S
• Molecular Weight: 572.85
• DSSTox Substance ID: DTXSID30390542
• Wikidata: Q82187380
• ChEMBL ID: CHEMBL1523848

Synonyms:6770-44-1;SMR000032993;Oprea1_782977;MLS000046982;CHEMBL1523848;DTXSID30390542;HMS2179H07;N-butyl-3-ethyl-N,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide;EU-0032371;SR-01000588386;SR-01000588386-1;N-butyl-3-ethyl-N,5-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide

Chemical Property of N-butyl-3-ethyl-N,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 307.13544809
• Heavy Atom Count: 21
• Complexity: 441

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCN(C)C(=O)C1=C(C2=C(S1)N=CN(C2=O)CC)C

Technology Process of N-butyl-3-ethyl-N,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide

There total 10 articles about N-butyl-3-ethyl-N,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-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: 5.0%

3β-tosyloxy-5β-cholestane-5,6β-diol (142832-37-9) → 5β-hydroxy-4,5-secocholest-3-en-6-one (104475-97-0) + 3β-methyl-A-nor-5β-cholestan-5-ol-6-one (77517-61-4) + Δ3-5β-cholestene-5,6β-diol (142923-77-1) + 3β-tosyloxy-5β-cholestan-5-ol-6-one (6770-44-1)

Guidance literature:

With potassium tert-butylate; In tert-butyl alcohol; at 55 ℃; for 16h; Further byproducts given. Yields of byproduct given;

DOI:10.1016/S0040-4020(01)88481-7

Reference yield:

3β,5-dihydroxy-5α-cholestan-6-one (2953-37-9,6580-08-1,16526-63-9,97100-50-0,115792-36-4,13027-33-3) + p-toluenesulfonyl chloride (98-59-9) → 5α-hydroxy-3β-p-toluenesulfonyloxycholestan-6-one (6770-44-1,20352-33-4,2762-57-4)

Guidance literature:

DOI:10.1021/jo50005a014 DOI:10.1021/jo01094a032

Reference yield:

Toluene-4-sulfonic acid (3S,8S,9S,10R,13R,14S,17R)-17-((R)-1,5-dimethyl-hexyl)-10,13-dimethyl-hexadecahydro-20-oxa-cyclopropa[5,6]cyclopenta[a]phenanthren-3-yl ester → 5α-hydroxy-3β-p-toluenesulfonyloxycholestan-6-one (6770-44-1,20352-33-4,2762-57-4)

Guidance literature:

With chromium(VI) oxide; In butanone; at 20 ℃;

DOI:10.1021/jm010867n

upstream raw materials:

3β,5-dihydroxy-5α-cholestan-6-one

p-toluenesulfonyl chloride

cholesteryl p-toluenesulfonate

cholesterol

Downstream raw materials:

5α-cholestan-6-one

3β-tosyloxy-5β-cholestane-5,6β-diol

3β-tosyloxy-6β-acetoxy-5β-cholestane-5-ol

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