4-chloro-5,7-dihydrothieno[3,4-d]pyrimidine

Base Information

• Chemical Name: 4-chloro-5,7-dihydrothieno[3,4-d]pyrimidine
• CAS No.: 53826-89-4
• Molecular Formula: C6H5ClN2S
• Molecular Weight: 172.638
• Hs Code.: 2934999090
• Mol file: 53826-89-4.mol

Synonyms:thieno[3,4-d]pyrimidine, 4-chloro-5,7-dihydro-;

Chemical Property of 4-chloro-5,7-dihydrothieno[3,4-d]pyrimidine

Chemical Property:

• Vapor Pressure: 0.000174mmHg at 25°C
• Refractive Index: 1.661
• Boiling Point: 340 °C at 760 mmHg
• PKA: -0.61±0.20(Predicted)
• Flash Point: 159.4 °C
• PSA: 51.08000
• Density: 1.483 g/cm³
• LogP: 1.87680
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C

Purity/Quality:

98%Min ^*data from raw suppliers

4-Chloro-5,7-dihydrothieno[3,4-d]pyrimidine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-chloro-5,7-dihydrothieno[3,4-d]pyrimidine

There total 3 articles about 4-chloro-5,7-dihydrothieno[3,4-d]pyrimidine 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: 80.0%

5,7-dihydrothieno[3,4-d]pyrimidin-4-ol (5719-29-9) → 4-chloro-5,7-dihydrothieno[3,4-d]pyrimidine (53826-89-4)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; trichlorophosphate; In 1,2-dichloro-ethane; Heating / reflux;

Reference yield:

Methyl tetrahydro-4-oxo-3-thiophenecarboxylate (78647-31-1) → 4-chloro-5,7-dihydrothieno[3,4-d]pyrimidine (53826-89-4)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium ethanolate / ethanol / 1 h / 20 °C

1.2: 20 °C / Heating / reflux

2.1: N-ethyl-N,N-diisopropylamine; trichlorophosphate / 1,2-dichloro-ethane / Heating / reflux

With sodium ethanolate; N-ethyl-N,N-diisopropylamine; trichlorophosphate; In ethanol; 1,2-dichloro-ethane;

Reference yield:

5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one (5719-29-9) → 4-chloro-5,7-dihydrothieno[3,4-d]pyrimidine (53826-89-4)

Guidance literature:

With pyridine; trichlorophosphate;

upstream raw materials:

5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one

5,7-dihydrothieno[3,4-d]pyrimidin-4-ol

Methyl tetrahydro-4-oxo-3-thiophenecarboxylate

Downstream raw materials:

(R)-tert-butyl 3-(4-chlorophenyl)-1-(4-(6,6-dioxido-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl)piperazin-1-yl)-1-oxopropan-2-ylcarbamate

(R)-tert-butyl 3-(4-chlorophenyl)-1-(4-(6-oxido-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl)piperazin-1-yl)-1-oxopropan-2-ylcarbamate

tert-butyl (R)-3-(4-chlorophenyl)-1-(4-(5,7-dihydrothieno[3,4-d]pyrimidin-4-yl)piperazin-1-yl)-1-oxopropan-2-ylcarbamate

Refernces