6-phenyl-7,8-dihydro-5H-phosphinino[3,4-e]pyrimidine-4-thiol

Base Information

• Chemical Name: 6-phenyl-7,8-dihydro-5H-phosphinino[3,4-e]pyrimidine-4-thiol
• CAS No.: 38626-64-1
• Molecular Formula: C₁₃H₁₃N₂PS
• Molecular Weight: 260.299
• NSC Number: 153143
• DSSTox Substance ID: DTXSID20394019

Synonyms:NSC153143;38626-64-1;DTXSID20394019;AKOS015917024;NSC-153143;6-phenyl-7,8-dihydro-5H-phosphinino[3,4-e]pyrimidine-4-thiol;6-phenyl-5,6,7,8-tetrahydrophosphinino[4,3-d]pyrimidine-4-thiol

Chemical Property of 6-phenyl-7,8-dihydro-5H-phosphinino[3,4-e]pyrimidine-4-thiol

Chemical Property:

• Vapor Pressure: 1.01E-07mmHg at 25°C
• Boiling Point: 433.7°Cat760mmHg
• Flash Point: 216.1°C
• Density: g/cm³
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 260.05370659
• Heavy Atom Count: 17
• Complexity: 383

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CP(CC2=C1NC=NC2=S)C3=CC=CC=C3

Technology Process of 6-phenyl-7,8-dihydro-5H-phosphinino[3,4-e]pyrimidine-4-thiol

There total 1 articles about 6-phenyl-7,8-dihydro-5H-phosphinino[3,4-e]pyrimidine-4-thiol 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:

orthoformic acid triethyl ester (122-51-0) + 4-amino-1-phenyl-1,2,5,6-tetrahydro-phosphinine-3-carbonitrile (23848-09-1) → 6-phenyl-5,6,7,8-tetrahydro-3H-phosphinino[4,3-d]pyrimidine-4-thione (38626-64-1)

Guidance literature:

Multistep reaction; (i) Ac₂O, (ii) NaSH, EtOH;

DOI:10.1021/jo00949a008

Reference yield:

6-phenyl-5,6,7,8-tetrahydro-3H-phosphinino[4,3-d]pyrimidine-4-thione (38626-64-1) → (+)-6-benzyl-4-methylsulfanyl-6-phenyl-5,6,7,8-tetrahydro-phosphinino[4,3-d]pyrimidinium; bromide (38626-70-9,38626-71-0,38626-72-1)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. NaOH

2: propan-2-ol / Heating

With sodium hydroxide; In isopropyl alcohol;

DOI:10.1021/jo00949a008

Reference yield:

6-phenyl-5,6,7,8-tetrahydro-3H-phosphinino[4,3-d]pyrimidine-4-thione (38626-64-1) → (-)-6-benzyl-4-methylsulfanyl-6-phenyl-5,6,7,8-tetrahydro-phosphinino[4,3-d]pyrimidinium; bromide (38626-70-9,38626-71-0,38626-72-1)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. NaOH

2: propan-2-ol / Heating

With sodium hydroxide; In isopropyl alcohol;

DOI:10.1021/jo00949a008

upstream raw materials:

orthoformic acid triethyl ester

4-amino-1-phenyl-1,2,5,6-tetrahydro-phosphinine-3-carbonitrile

Downstream raw materials:

(+)-6-benzyl-4-methylsulfanyl-6-phenyl-5,6,7,8-tetrahydro-phosphinino[4,3-d]pyrimidinium; bromide

(-)-6-benzyl-4-methylsulfanyl-6-phenyl-5,6,7,8-tetrahydro-phosphinino[4,3-d]pyrimidinium; bromide

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