4-Chlorothieno[2,3-d]pyrimidine

Base Information

• Chemical Name: 4-Chlorothieno[2,3-d]pyrimidine
• CAS No.: 14080-59-2
• Molecular Formula: C6H3ClN2S
• Molecular Weight: 170.622
• Hs Code.: 2934999090
• European Community (EC) Number: 672-503-9
• DSSTox Substance ID: DTXSID50353073
• Wikidata: Q72459854
• Mol file: 14080-59-2.mol

Synonyms:4-Chlorothieno[2,3-d]pyrimidine;14080-59-2;thieno[2,3-d]pyrimidine, 4-chloro-;MFCD01312373;SCHEMBL9704;DTXSID50353073;CHEBI:194638;NZCRUBBNZGVREM-UHFFFAOYSA-N;HMS1728C22;4-chloro-thieno[2,3-d]pyrimidine;8-Hydroxymianserin b-D-glucuronide;BCP27159;4-Chloro-thieno[2,3-d]-pyrimidine;STL582240;AKOS001044006;CS-W005019;PB14219;AC-33881;BP-11120;SY006753;AM20080310;FT-0618267;4-Chlorothieno[2,3-d]pyrimidine, AldrichCPR;EN300-07404;7P-707;W-201197;Z56899146;F2167-3929

Chemical Property of 4-Chlorothieno[2,3-d]pyrimidine

Chemical Property:

• Appearance/Colour: Slightly yellowish crystalline solid
• Vapor Pressure: 0.005mmHg at 25°C
• Melting Point: 109-113 °C
• Refractive Index: 1.71
• Boiling Point: 285.7 °C at 760 mmHg
• PKA: 0.42±0.40(Predicted)
• Flash Point: 126.6 °C
• PSA: 54.02000
• Density: 1.531 g/cm³
• LogP: 2.34470
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility.: Dichloromethane, DMSO
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 169.9705470
• Heavy Atom Count: 10
• Complexity: 133

Purity/Quality:

97% ^*data from raw suppliers

4-Chlorothieno[2,3-d]pyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,T
• Statements: 25-36
• Safety Statements: 26-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CSC2=C1C(=NC=N2)Cl
• Uses: 4-Chlorothieno[2,3-d]pyrimidine (cas# 14080-59-2) is a compound useful in organic synthesis.

Technology Process of 4-Chlorothieno[2,3-d]pyrimidine

There total 10 articles about 4-Chlorothieno[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: 100.0%

4-hydroxythieno[2,3-d]pyrimidine (14080-50-3) → 4-chlorothieno[2,3-d]pyrimidine (14080-59-2)

Guidance literature:

With trichlorophosphate; Reflux;

Reference yield: 97.0%

dichloromethane (75-09-2) + thieno[2,3-d]pyrimidin-4(3H)one (14080-50-3) → 4-chlorothieno[2,3-d]pyrimidine (14080-59-2)

Guidance literature:

In N,N-dimethyl-formamide;

Reference yield: 96.0%

thieno[2,3-d]pyrimidin-4(3H)one (14080-50-3) → 4-chlorothieno[2,3-d]pyrimidine (14080-59-2)

Guidance literature:

With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; at 0 ℃; for 3h; Reflux;

upstream raw materials:

thieno[2,3-d]pyrimidin-4(3H)one

2-amino-3-cyanothiophene

methyl 2-formylaminothiophene-3-carboxylate

dichloromethane

Downstream raw materials:

4-(4-phenyl-1-piperazinyl)thieno[2,3-d]pyrimidine

(S)-N₁,N₁-dimethyl-1-phenyl-N₂-thieno[2,3-d]pyrimidin-4-yl-1,2-ethanediamine

C₁₆H₁₈N₄S

4-benzylaminothieno[2,3-d]pyrimidine