4-Chloro-5-methylthieno[2,3-d]pyrimidine

Base Information

• Chemical Name: 4-Chloro-5-methylthieno[2,3-d]pyrimidine
• CAS No.: 43088-67-1
• Molecular Formula: C7H5ClN2S
• Molecular Weight: 184.649
• Hs Code.: 29349990
• European Community (EC) Number: 672-798-4
• NSC Number: 153315
• DSSTox Substance ID: DTXSID70302745
• Nikkaji Number: J1.072.986F
• Wikidata: Q72455359
• ChEMBL ID: CHEMBL353407
• Mol file: 43088-67-1.mol

Synonyms:4-chloro-5-methylthieno[2,3-d]pyrimidine;43088-67-1;Thieno[2,3-d]pyrimidine, 4-chloro-5-methyl-;4-Chloro-5-methyl-thieno[2,3-d]pyrimidine;4-Chloro-5-methylthieno(2,3-d)pyrimidine;NSC153315;4-chloro-5-methylthiopheno[2,3-d]pyrimidine;1,1-thiobis(2-naphthol);SCHEMBL438061;CHEMBL353407;DTXSID70302745;MFCD00205201;AKOS006229823;DS-2759;NSC 153315;NSC-153315;PB32174;AM803902;BP-10973;5-methyl-4-chlorothieno[2,3-d]pyrimidine;CS-0042908;FT-0618120;EN300-207382;A826147;Z1201619764

Chemical Property of 4-Chloro-5-methylthieno[2,3-d]pyrimidine

Chemical Property:

• Vapor Pressure: 0.0019mmHg at 25°C
• Melting Point: 137 °C
• Refractive Index: 1.682
• Boiling Point: 301.3 °C at 760 mmHg
• PKA: 0.71±0.40(Predicted)
• Flash Point: 136 °C
• PSA: 54.02000
• Density: 1.445 g/cm³
• LogP: 2.65310
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.9
• 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:

98%,99%, ^*data from raw suppliers

4-Chloro-5-methylthieno[2,3-d]pyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: Xi:Irritant
• Statements: 36/37/38
• Safety Statements: 22-36/37/39

MSDS Files:

Useful:

• Canonical SMILES: CC1=CSC2=C1C(=NC=N2)Cl

Technology Process of 4-Chloro-5-methylthieno[2,3-d]pyrimidine

There total 5 articles about 4-Chloro-5-methylthieno[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: 39.0%

5-methylthieno[2,3-d]pyrimidin-4-ol (43088-64-8) → 4-chloro-5-methylthieno[2,3-d]pyrimidine (43088-67-1)

Guidance literature:

With trichlorophosphate; at 110 ℃; for 1h;

Reference yield:

5-methylthieno[2,3-d]pyrimidin-4-one → 4-chloro-5-methylthieno[2,3-d]pyrimidine (43088-67-1)

Guidance literature:

With trichlorophosphate;

Reference yield:

5-Methyl-3,4-dihydrothieno<2,3-d>pyrimid-4-one (43088-64-8) → 4-chloro-5-methylthieno[2,3-d]pyrimidine (43088-67-1)

Guidance literature:

(chlorination);

upstream raw materials:

5-Methyl-3,4-dihydrothieno<2,3-d>pyrimid-4-one

5-methylthieno[2,3-d]pyrimidin-4-ol

2-amino-4-methyl-thiophene-3-carboxylic acid ethyl ester

Downstream raw materials:

3-(5-Methyl-thieno[2,3-d]pyrimidin-4-yloxy)-2-phenyl-[1,8]naphthyridine

Refernces

• 1、 Kumar, K. Shiva,Chamakuri, Srinivas,Vishweshwar, Peddy,Iqbal, Javed,Pal, Manojit. "AlCl3-induced (hetero)arylation of thienopyrimidine ring: a new synthesis of 4-substituted thieno[2,3-d]pyrimidines". supporting information; experimental part. p. 3269 - 3273. Retrieved 2010/07/18.
• 2、 -. "COMPOUND HAVING TGF-BETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION CONTAINING SAME". Page/Page column 53. . Retrieved 2010/11/24.