5-Pyrimidinecarbonitrile, 1,2,3,4-tetrahydro-4-oxo-6-phenyl-2-thioxo-

Base Information

• Chemical Name: 5-Pyrimidinecarbonitrile, 1,2,3,4-tetrahydro-4-oxo-6-phenyl-2-thioxo-
• CAS No.: 70638-52-7
• Molecular Formula: C11H7 N3 O S
• Molecular Weight: 229.262
• Hs Code.: 2933599590
• Mol file: 70638-52-7.mol

Synonyms:5-Pyrimidinecarbonitrile, 1,2,3,4-tetrahydro-4-oxo-6-phenyl-2-thioxo-

Chemical Property of 5-Pyrimidinecarbonitrile, 1,2,3,4-tetrahydro-4-oxo-6-phenyl-2-thioxo-

Chemical Property:

• PSA: 104.53000
• LogP: 1.97118

Purity/Quality:

97% ^*data from raw suppliers

4-Oxo-6-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 5-Pyrimidinecarbonitrile, 1,2,3,4-tetrahydro-4-oxo-6-phenyl-2-thioxo-

There total 13 articles about 5-Pyrimidinecarbonitrile, 1,2,3,4-tetrahydro-4-oxo-6-phenyl-2-thioxo- 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: 93.0%

benzaldehyde (100-52-7) + thiourea (17356-08-0) + ethyl 2-cyanoacetate (105-56-6) → 4-hydroxy-6-phenyl-2-sulfanylpyrimidine-5-carbonitrile (70638-52-7)

Guidance literature:

With potassium carbonate; In ethanol; for 6h; Reflux;

DOI:10.1111/cbdd.12070

Reference yield: 90.0%

benzaldehyde (100-52-7) + thiourea (17356-08-0) + ethyl 2-cyanoacetate (105-56-6) → 5-cyano-6-phenyl-2-thiouracil (70638-52-7)

Guidance literature:

With potassium carbonate; In ethanol; for 12h; Reflux;

DOI:10.1016/j.ejmech.2013.05.028

Reference yield: 56.0%

3-(4-ethoxyphenyl)-6-oxo-8-phenyl-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3,5]thiadiazine-7-carbonitrile (920447-68-3) → 5-cyano-6-phenyl-2-thiouracil (70638-52-7)

Guidance literature:

With acetic acid; for 0.166667h; Heating;

DOI:10.1007/s11172-007-0218-6

upstream raw materials:

benzaldehyde

thiourea

ethyl 2-cyanoacetate

methyl 2-cyanoacetate

Downstream raw materials:

2-phenylmethylene-6-cyano-7-phenyl-5H-thiazolo<3,2-a>pyrimidine-3,5(2H)-dione

1-Ethyl-2-ethylsulfanyl-6-oxo-4-phenyl-1,6-dihydro-pyrimidine-5-carbonitrile

ethyl [(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)thio]acetate

6-Cyano-7-phenyl-2,3-dihydrothiazolo<3,2-a>pyrimidin-5-one

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