5-Bromo-4-chloro-2-(methylthio)pyrimidine

Base Information

• Chemical Name: 5-Bromo-4-chloro-2-(methylthio)pyrimidine
• CAS No.: 63810-78-6
• Molecular Formula: C5H4BrClN2S
• Molecular Weight: 239.523
• Hs Code.: 29335990
• European Community (EC) Number: 636-316-6
• NSC Number: 102496
• DSSTox Substance ID: DTXSID40295514
• Wikidata: Q72453098
• Mol file: 63810-78-6.mol

Synonyms:5-bromo-4-chloro-2-(methylthio)pyrimidine;63810-78-6;5-BROMO-4-CHLORO-2-METHYLSULFANYL-PYRIMIDINE;5-bromo-4-chloro-2-(methylsulfanyl)pyrimidine;5-Bromo-4-chloro-2-methylsulfanylpyrimidine;5-BROMO-4-CHLORO-2-METHYLTHIOPYRIMIDINE;MFCD00023232;PYRIMIDINE, 5-BROMO-4-CHLORO-2-(METHYLTHIO)-;NSC102496;SCHEMBL6524904;DTXSID40295514;XVRYJQACDDVZEI-UHFFFAOYSA-N;CS-D1625;AKOS015833954;NSC-102496;PB10049;AC-28078;DS-13155;SY009011;AM20100575;B4406;FT-0684791;EN300-305303;J-517072;Z1269181129

Chemical Property of 5-Bromo-4-chloro-2-(methylthio)pyrimidine

Chemical Property:

• Vapor Pressure: 0.00116mmHg at 25°C
• Melting Point: 45.0 to 49.0 °C
• Refractive Index: 1.649
• Boiling Point: 309.5 °C at 760 mmHg
• PKA: -1.97±0.29(Predicted)
• Flash Point: 141 °C
• Density: 1.83 g/cm³
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 237.89671
• Heavy Atom Count: 10
• Complexity: 116

Purity/Quality:

97% ^*data from raw suppliers

5-Bromo-4-chloro-2-(methylthio)pyrimidine ^*data from reagent suppliers

Safty Information:

• Statements: 34-22
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CSC1=NC=C(C(=N1)Cl)Br

Technology Process of 5-Bromo-4-chloro-2-(methylthio)pyrimidine

There total 5 articles about 5-Bromo-4-chloro-2-(methylthio)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: 83.0%

2-methylsulfanyl-5-bromopyrimidin-4-one (81560-03-4) → 4?chloro?5?bromo?2?(methylthio)pyrimidine (63810-78-6)

Guidance literature:

With pyridine; trichlorophosphate; at 80 ℃; for 5h;

Reference yield: 72.5%

4-Chloro-2-methylthiopyrimidine (49844-90-8) → 4?chloro?5?bromo?2?(methylthio)pyrimidine (63810-78-6)

Guidance literature:

With N-Bromosuccinimide; In methanol; acetonitrile; at 20 ℃;

DOI:10.1177/1747519819831858

Reference yield:

→ 4?chloro?5?bromo?2?(methylthio)pyrimidine (63810-78-6)

Guidance literature:

With trichlorophosphate; at 125 ℃;

upstream raw materials:

2-methylsulfanyl-5-bromopyrimidin-4-one

trichlorophosphate

2-Methylthiouracil

4-Chloro-2-methylthiopyrimidine

Downstream raw materials:

5-bromo-2-methylthiopyrimidine

5?bromo?N?cyclopentyl?2?(methylthio)pyrimidin?4?amine

8?cyclopentyl?5?methyl?2?(methylthio)pyrido[2,3?d]pyrimidin?7(8H)?one

6?bromo?8?cyclopentyl?5?methyl?2?(methylsulfinyl)pyrido[2,3?d]pyrimidin?7(8H)?one