4-Chloro-7-methylthieno[3,2-d]pyrimidine

Base Information

• Chemical Name: 4-Chloro-7-methylthieno[3,2-d]pyrimidine
• CAS No.: 175137-21-0
• Molecular Formula: C7H5 Cl N2 S
• Molecular Weight: 184.649
• Hs Code.: 2934999090
• European Community (EC) Number: 639-284-1
• DSSTox Substance ID: DTXSID60380577
• Nikkaji Number: J2.865.933D
• Wikidata: Q82170861
• Mol file: 175137-21-0.mol

Synonyms:4-chloro-7-methylthieno[3,2-d]pyrimidine;175137-21-0;Thieno[3,2-d]pyrimidine, 4-chloro-7-methyl-;4-chloro-7-methyl-thieno[3,2-d]pyrimidine;Thieno[3,2-d]pyrimidine,4-chloro-7-methyl-;SCHEMBL358216;DTXSID60380577;IYJDOVYAFDVIDB-UHFFFAOYSA-N;CS-D1272;STR06851;MFCD00205202;AKOS006228233;PB15656;FT-0618143;EN300-171134;4-CHLORO-7-METHYLTHIENO[2,3-D]PYRIMIDINE;A811779;Z1201619765

Chemical Property of 4-Chloro-7-methylthieno[3,2-d]pyrimidine

Chemical Property:

• Vapor Pressure: 0.0019mmHg at 25°C
• Melting Point: 124oC
• Boiling Point: 301.3oC at 760 mmHg
• PKA: 0.78±0.40(Predicted)
• Flash Point: 136oC
• PSA: 54.02000
• Density: 1.445g/cm3
• LogP: 2.65310
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 183.9861970
• Heavy Atom Count: 11
• Complexity: 155

Purity/Quality:

97% ^*data from raw suppliers

4-Chloro-7-methylthieno[3,2-d]pyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CSC2=C1N=CN=C2Cl

Technology Process of 4-Chloro-7-methylthieno[3,2-d]pyrimidine

There total 10 articles about 4-Chloro-7-methylthieno[3,2-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: 99.0%

C8H8N2S2 (1246223-39-1) → 4-chloro-7-methylthieno[3,2-d]pyrimidine (175137-21-0)

Guidance literature:

With sulfuryl dichloride; In dichloromethane; acetonitrile; at 0 ℃; for 0.5h;

DOI:10.1016/j.tetlet.2010.06.056

Reference yield: 96.0%

aqueous sodium chloride + 7-methyl-3,4-dihydrothieno[3,2-d]pyrimidin-4-one (175137-13-0) → 4-chloro-7-methylthieno[3,2-d]pyrimidine (175137-21-0)

Guidance literature:

With sodium hydrogencarbonate; In trichlorophosphate;

Reference yield: 95.0%

7-methyl-3,4-dihydrothieno[3,2-d]pyrimidin-4-one (175137-13-0) → 4-chloro-7-methylthieno[3,2-d]pyrimidine (175137-21-0)

Guidance literature:

With trichlorophosphate; for 2h; Heating / reflux;

upstream raw materials:

7-methyl-3,4-dihydrothieno[3,2-d]pyrimidin-4-one

methyl 3-formamido-4-methylthiophene-2-carboxylate

C₈H₈N₂S₂

3-amino-4-methyl-2-thiophenecarboxylic acid methyl ester

Downstream raw materials:

7-(bromomethyl)-4-chlorothieno[3,2-d]pyrimidine

4-chlorothieno[3,2-d]pyrimidine-7-carboxylic acid

4-chloro-N-(2,6-difluoro-3,5-dimethoxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide

4-amino-N-(2,6-difluoro-3,5-dimethoxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide