6-Bromo-4-chlorothieno[2,3-d]pyrimidine

Base Information

• Chemical Name: 6-Bromo-4-chlorothieno[2,3-d]pyrimidine
• CAS No.: 56844-12-3
• Molecular Formula: C6H2BrClN2S
• Molecular Weight: 249.518
• Hs Code.: 2934999090
• European Community (EC) Number: 873-782-1
• ChEMBL ID: CHEMBL3416445
• DSSTox Substance ID: DTXSID50481264
• Nikkaji Number: J3.116.885F
• Wikidata: Q72453653
• Mol file: 56844-12-3.mol

Synonyms:6-Bromo-4-chlorothieno[2,3-d]pyrimidine;56844-12-3;MFCD09264088;Thieno[2,3-d]pyrimidine, 6-bromo-4-chloro-;SCHEMBL654782;CHEMBL3416445;DTXSID50481264;CMIXHHOZGMSYKN-UHFFFAOYSA-N;AMY12226;SC1191;AKOS015851124;CS-W003611;PB31368;DS-10806;SY006842;FT-0646343;6-bromanyl-4-chloranyl-thieno[2,3-d]pyrimidine;EN300-7377587;6-Bromo-4-chlorothieno[2 pound not3-d]pyrimidine;A831201;J-518393;6-Bromo-4-chlorothieno[2,3-d]pyrimidine, AldrichCPR;Z1269227433

Chemical Property of 6-Bromo-4-chlorothieno[2,3-d]pyrimidine

Chemical Property:

• Vapor Pressure: 0.000123mmHg at 25°C
• Refractive Index: 1.735
• Boiling Point: 345.5 °C at 760 mmHg
• PKA: -0.34±0.40(Predicted)
• Flash Point: 162.7 °C
• PSA: 54.02000
• Density: 1.955 g/cm³
• LogP: 3.10720
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 247.88106
• Heavy Atom Count: 11
• Complexity: 160

Purity/Quality:

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

6-Bromo-4-chlorothieno[2,3-d]pyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(SC2=C1C(=NC=N2)Cl)Br

Technology Process of 6-Bromo-4-chlorothieno[2,3-d]pyrimidine

There total 10 articles about 6-Bromo-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: 90.0%

6-bromothieno[2,3-d]pyrimidin-4(3H)-one (56844-40-7) → 6-bromo-4-chlorothieno[2,3-d]pyrimidine (56844-12-3)

Guidance literature:

With trichlorophosphate; at 120 ℃; for 10h;

DOI:10.1039/c7cc01391d

Reference yield: 84.9%

6-bromothieno[2,3-d]pyrimidin-4-ol (56844-40-7) → 6-bromo-4-chlorothieno[2,3-d]pyrimidine (56844-12-3)

Guidance literature:

With trichlorophosphate; for 2h; Reflux;

DOI:10.1021/ml5005014

Reference yield: 82.0%

6-bromothieno[2,3-d]pyrimidin-4(1H)-one → 6-bromo-4-chlorothieno[2,3-d]pyrimidine (56844-12-3)

Guidance literature:

With trichlorophosphate; for 6h; Reflux;

upstream raw materials:

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

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

6-bromothieno[2,3-d]pyrimidin-4-ol

4-chlorothieno[2,3-d]pyrimidine

Downstream raw materials:

4-chloro-6-(4-fluorophenyl)thieno[2,3-d]pyrimidine

4-N-[6-cycIopropylthieno[2,3-d]pyrimidin-4-yl]-1-N,1-N-dimethylcyclohexane-1,4-diamine

5-bromo-thieno[2,3-d]pyrimidin-4-ylamine

Refernces

• 1、 Park, Jaeok,Leung, Chun Yuen,Matralis, Alexios N.,Lacbay, Cyrus M.,Tsakos, Michail,Fernandez De Troconiz, Guillermo,Berghuis, Albert M.,Tsantrizos, Youla S.. "Pharmacophore Mapping of Thienopyrimidine-Based Monophosphonate (ThP-MP) Inhibitors of the Human Farnesyl Pyrophosphate Synthase". . p. 2119 - 2134. Retrieved 2017/03/17.
• 2、 Woodring, Jennifer L.,Patel, Gautam,Erath, Jessey,Behera, Ranjan,Lee, Patricia J.,Leed, Susan E.,Rodriguez, Ana,Sciotti, Richard J.,Mensa-Wilmot, Kojo,Pollastri, Michael P.. "Evaluation of aromatic 6-substituted thienopyrimidines as scaffolds against parasites that cause trypanosomiasis, leishmaniasis, and malaria". supporting information. p. 339 - 346. Retrieved 2015/03/30.