2,4-Dichlorothieno[3,2-d]pyrimidine

Base Information

• Chemical Name: 2,4-Dichlorothieno[3,2-d]pyrimidine
• CAS No.: 16234-14-3
• Molecular Formula: C6H2Cl2N2S
• Molecular Weight: 205.067
• Hs Code.: 29335990
• European Community (EC) Number: 695-110-4
• ChEMBL ID: CHEMBL3236403
• DSSTox Substance ID: DTXSID10507712
• Nikkaji Number: J3.284.572J
• Wikidata: Q72468332
• Mol file: 16234-14-3.mol

Synonyms:2,4-Dichlorothieno[3,2-d]pyrimidine;16234-14-3;thieno[3,2-d]pyrimidine, 2,4-dichloro-;MFCD08448158;2,4-dichloro-thieno[3,2-d]pyrimidine;SCHEMBL55563;CHEMBL3236403;DTXSID10507712;AQECFYPZMBRCIA-UHFFFAOYSA-N;BCP12974;CS-B0058;2.4-dichlorothieno[3,2-d]pyrimidine;AKOS005259768;PB32614;SS-4343;2.4-dichloro-thieno[3,2-d]pyrimidine;BP-11608;SY003512;2,4-bis(chloranyl)thieno[3,2-d]pyrimidine;AM20080450;D4864;FT-0646944;A22718;EN300-197880;2,4-Dichlorothieno[3,2-d]pyrimidine, AldrichCPR;A810368;W-205902;2 pound not4-Dichlorothieno[3 pound not2-d]pyrimidine;Z1269128390

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

Chemical Property:

• Melting Point: 136.0 to 140.0 °C
• Boiling Point: 274.804 °C at 760 mmHg
• PKA: -0.72±0.40(Predicted)
• Flash Point: 119.997 °C
• PSA: 54.02000
• Density: 1.662 g/cm³
• LogP: 2.99810
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 203.9315746
• Heavy Atom Count: 11
• Complexity: 158

Purity/Quality:

98%, ^*data from raw suppliers

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

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CSC2=C1N=C(N=C2Cl)Cl
• Uses: 2,4-Dichlorothieno[3,2-d]pyrimidine is used in the synthesis of PI3K inhibitor under noncryogenic conditions.

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

There total 8 articles about 2,4-Dichlorothieno[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: 100.0%

1H-thieno[3,2-d]pyrimidine-2,4-dione (16233-51-5) → 2,4-dichlorothieno[3,2-d]pyrimidine (16234-14-3)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; trichlorophosphate; for 2h; Heating / reflux;

Reference yield: 100.0%

2,4-dihydroxythieno[3,2-d]pyrimidine (16233-51-5) → 2,4-dichlorothieno[3,2-d]pyrimidine (16234-14-3)

Guidance literature:

With trichlorophosphate; at 100 ℃; Product distribution / selectivity;

Reference yield: 64.7%

→ 2,4-dichlorothieno[3,2-d]pyrimidine (16234-14-3)

Guidance literature:

With trichlorophosphate; In N,N-dimethyl-formamide; at 110 ℃; for 5h;

upstream raw materials:

1H-thieno[3,2-d]pyrimidine-2,4-dione

thienoyleneurea

2,4-dihydroxythieno[3,2-d]pyrimidine

Methyl 3-aminothiophene-2-carboxylate

Downstream raw materials:

4'-[[[2-chlorothieno-[3,2-d]pyrimidin-4-yL]amino]methyl][1,1'-biphenyl]-2-carboxylic acid methyl ester

C₁₃H₁₀ClN₃OS

2-chloro-N-phenylthieno[3,2-d]pyrimidine-4-amine

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