4-Chloro-5-methyl-6-phenylthieno[2,3-d]pyrimidine

Base Information

• Chemical Name: 4-Chloro-5-methyl-6-phenylthieno[2,3-d]pyrimidine
• CAS No.: 306934-78-1
• Molecular Formula: C13H9 Cl N2 S
• Molecular Weight: 260.747
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID60370933
• Wikidata: Q82158120
• Mol file: 306934-78-1.mol

Synonyms:4-Chloro-5-methyl-6-phenylthieno[2,3-d]pyrimidine;306934-78-1;SCHEMBL4765789;DTXSID60370933;LRTKDTZXCFGPEU-UHFFFAOYSA-N;MFCD02179828;AKOS001128437;PS-7364;BP-11106;CS-0279816;FT-0618118;EN300-12898;AB00735678-01;A820494;J-515064;Z89284932;4-chloranyl-5-methyl-6-phenyl-thieno[2,3-d]pyrimidine

Chemical Property of 4-Chloro-5-methyl-6-phenylthieno[2,3-d]pyrimidine

Chemical Property:

• Vapor Pressure: 1.82E-06mmHg at 25°C
• Melting Point: 131-132
• Refractive Index: 1.68
• Boiling Point: 407.1°Cat760mmHg
• PKA: 0.59±0.40(Predicted)
• Flash Point: 200°C
• PSA: 54.02000
• Density: 1.351g/cm³
• LogP: 4.32010
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 260.0174972
• Heavy Atom Count: 17
• Complexity: 270

Purity/Quality:

97% ^*data from raw suppliers

4-Chloro-5-methyl-6-phenylthieno[2,3-d]pyrimidine 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(SC2=C1C(=NC=N2)Cl)C3=CC=CC=C3

Technology Process of 4-Chloro-5-methyl-6-phenylthieno[2,3-d]pyrimidine

There total 2 articles about 4-Chloro-5-methyl-6-phenylthieno[2,3-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: 79.0%

5-methyl-6-phenylthieno[2,3-d]pyrimidin-4(3H)-one (306934-76-9) → 4-chloro-5-methyl-6-phenylthieno[2,3-d]pyrimidine (306934-78-1)

Guidance literature:

With trichlorophosphate; for 5h; Reflux;

DOI:10.1691/ph.2008.8600

Reference yield:

2-amino-4-methyl-5-phenyl-thiophen-3-carboxamide (4815-39-8) + orthoformic acid triethyl ester (122-51-0) → 4-chloro-5-methyl-6-phenylthieno[2,3-d]pyrimidine (306934-78-1)

Guidance literature:

2-amino-4-methyl-5-phenyl-thiophen-3-carboxamide; orthoformic acid triethyl ester; for 12h; Reflux;

With trichlorophosphate; for 5h; Reflux;

DOI:10.1002/jhet.375

Reference yield: 91.0%

4-chloro-5-methyl-6-phenylthieno[2,3-d]pyrimidine (306934-78-1) + ethanolamine (141-43-5) → 4-(2-hydroxyethylamino)-5-methyl-6-phenylthieno[2,3-d]pyrimidine (1101198-31-5)

Guidance literature:

In dichloromethane; at 20 ℃;

DOI:10.1691/ph.2008.8600

upstream raw materials:

5-methyl-6-phenylthieno[2,3-d]pyrimidin-4(3H)-one

2-amino-4-methyl-5-phenyl-thiophen-3-carboxamide

orthoformic acid triethyl ester

Downstream raw materials:

4-(2-hydroxyethylamino)-5-methyl-6-phenylthieno[2,3-d]pyrimidine

4-diethylamino-5-methyl-6-phenylthieno[2,3-d]pyrimidine

4-ethoxy-5-methyl-6-phenylthieno[2,3-d]pyrimidine

4-ethylamino-5-methyl-6-phenylthieno[2,3-d]pyrimidine