319442-16-5 | 4-Chloro-2-methylthieno[3,2-d]pyrimidine

Packsize	Purity	Availability	Price	Discounted Price
100mg	97%	in stock	$15.00	$10.00
250mg	97%	in stock	$28.00	$19.00
1g	97%	in stock	$45.00	$32.00
5g	97%	in stock	$126.00	$88.00
100g	97%	in stock	$1,878.00	$1,315.00

Description

• Catalog Number: AB52223
• Chemical Name: 4-Chloro-2-methylthieno[3,2-d]pyrimidine
• CAS Number: 319442-16-5
• Molecular Formula: C7H5ClN2S
• Molecular Weight: 184.646
• MDL Number: MFCD09834968
• SMILES: Cc1nc(Cl)c2c(n1)ccs2

Computed Properties

• Complexity: 155
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 11
• Hydrogen Bond Acceptor Count: 3
• XLogP3: 2.7

Upstream Synthesis Route

To synthesize 4-Chloro-2-methylthieno[3,2-d]pyrimidine, the preferred route involves the following steps:

1. **Synthesis of 2-Methylthiophene**: This can be achieved through the reaction of 2-methyl-1,3-butadiene (isoprene) with sulfur, using a radical initiator like AIBN (azobisisobutyronitrile) under thermal conditions.

2. **Formation of Thieno[3,2-d]pyrimidine Ring**: Perform cyclization of the appropriately substituted urea with 2-methylthiophene. This step typically requires a condensing agent like phosphorus oxychloride (POCl₃) and a suitable base like triethylamine.

3. **Halogenation**: Finally, introduce the chloro substituent in the 4-position by direct chlorination. This might involve the use of a chlorinating agent such as N-Chlorosuccinimide (NCS) in the presence of a catalyst like aluminum chloride (AlCl₃), often under reflux conditions to complete the synthesis of 4-chloro-2-methylthieno[3,2-d]pyrimidine.

Each of these steps would also include purification processes, such as washing, recrystallization, or chromatography, to obtain the desired compound with high purity. All reactions should be monitored through analytical techniques like GC-MS, NMR, or HPLC to confirm the structure and purity of the intermediates and final product.