2,4,6-Tribromopyrimidine

Base Information

• Chemical Name: 2,4,6-Tribromopyrimidine
• CAS No.: 36847-11-7
• Molecular Formula: C4HBr3N2
• Molecular Weight: 316.777
• Hs Code.: 29335990
• European Community (EC) Number: 670-509-6
• NSC Number: 87663
• DSSTox Substance ID: DTXSID90293181
• Nikkaji Number: J3.394.448I
• Wikidata: Q82031816
• Mol file: 36847-11-7.mol

Synonyms:2,4,6-Tribromopyrimidine;36847-11-7;Pyrimidine, 2,4,6-tribromo-;MFCD00233942;NSC87663;NCIOpen2_009548;SCHEMBL2812006;DTXSID90293181;AHEYFWKLKMOHCI-UHFFFAOYSA-N;2,4,6-Tribromopyrimidine, 95%;BBL101805;NSC-87663;STL555602;AKOS005255681;AM80999;SB58076;AS-19803;CS-0157909;FT-0658312;A18698;EN300-252844;J-507066

Chemical Property of 2,4,6-Tribromopyrimidine

Chemical Property:

• Vapor Pressure: 2.58E-05mmHg at 25°C
• Melting Point: 108-113°C
• Refractive Index: 1.652
• Boiling Point: 369.1 °C at 760 mmHg
• PKA: -7.31±0.30(Predicted)
• Flash Point: 177 °C
• PSA: 25.78000
• Density: 2.545 g/cm³
• LogP: 2.76410
• Storage Temp.: Sealed in dry,Store in freezer, under -20°C
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 315.76694
• Heavy Atom Count: 9
• Complexity: 89.8

Purity/Quality:

97% ^*data from raw suppliers

2,4,6-Tribromopyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-37/38-41-36/37/38
• Safety Statements: 26-39-36/37/39-22

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=C(N=C(N=C1Br)Br)Br

Technology Process of 2,4,6-Tribromopyrimidine

There total 2 articles about 2,4,6-Tribromopyrimidine 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: 99.0%

BARBITURIC ACID (67-52-7,944357-77-1) → 2,4,6-tribromopyrimidine (36847-11-7)

Guidance literature:

With N,N-dimethyl-aniline; phosphorus(V) oxybromide; In toluene; for 3h; Heating;

DOI:10.1021/ja012709r

Reference yield:

→ 2,4,6-tribromopyrimidine (36847-11-7)

Guidance literature:

Pyrimidin, Br2/Gasphase;

DOI:10.1016/S0040-4039(01)84800-0

Reference yield: 86.7%

2,4,6-tribromopyrimidine (36847-11-7) + (3‐cyanophenyl)boronic acid (150255-96-2) → C11H5Br2N3

Guidance literature:

With ethylene glycol-bis(2-aminoethyl)-N,N,N'N,'-tetraacetic acid; palladium diacetate; sodium carbonate; tris-(o-tolyl)phosphine; In water; for 15h; Reflux;

upstream raw materials:

BARBITURIC ACID

Downstream raw materials:

4-bromo-2,6-dimethoxy-pyrimidine

2,4-bis(benzyloxy)-6-bromopyrimidine

6-bromo-2-morpholino-N-(6-phenoxypyridin-3-yl)pyrimidin-4-amine