Pyrimidin-2-ylaminehydrobromide sesquihydrate

Base Information

• Chemical Name: Pyrimidin-2-ylaminehydrobromide sesquihydrate
• CAS No.: 40835-96-9
• Molecular Formula: C11H10BrN3
• Molecular Weight: 264.124
• Hs Code.: 2933990090
• European Community (EC) Number: 255-101-4
• NSC Number: 155083
• DSSTox Substance ID: DTXSID70193817
• ChEMBL ID: CHEMBL3357347
• Mol file: 40835-96-9.mol

Synonyms:40835-96-9;2-Aminoperimidine Hydrobromide;1H-perimidin-2-amine hydrobromide;Pyrimidin-2-ylaminehydrobromide sesquihydrate;1H-perimidin-2-amine;hydrobromide;EINECS 255-101-4;1H-Perimidin-2-amine, monohydrobromide;2-Aminoperimidine hydrobromide hydrate;C11H9N3.BrH;SCHEMBL9555445;C11-H9-N3.Br-H;CHEMBL3357347;1H-perimidin-2-aminehydrobromide;DTXSID70193817;MFCD00012749;NSC155083;AKOS015912890;NSC 155083;NSC-155083;AS-60226;CS-0199125;FT-0611258;D88567;Perimidine,3-dihydro-2-imino-, monohydrobromide;J-018380;2-Aminoperimidine hydrobromide sesquihydrate, for the determination of SO42-, >=98.0% (AT)

Chemical Property of Pyrimidin-2-ylaminehydrobromide sesquihydrate

Chemical Property:

• Vapor Pressure: 2.55E-07mmHg at 25°C
• Melting Point: 295-300oC
• Boiling Point: 421.7°Cat760mmHg
• Flash Point: 208.8°C
• PSA: 54.70000
• Density: 1.4g/cm³
• LogP: 3.83760
• Solubility.: soluble in Methanol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 263.00581
• Heavy Atom Count: 15
• Complexity: 261

Purity/Quality:

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

1H-Perimidin-2-amineHydrobromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC2=C3C(=C1)NC(=NC3=CC=C2)N.Br

Technology Process of Pyrimidin-2-ylaminehydrobromide sesquihydrate

There total 1 articles about Pyrimidin-2-ylaminehydrobromide sesquihydrate 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: 73.0%

bromocyane (506-68-3) + naphthalene-1,8-diamine (479-27-6) → 1H-perimidin-2-amine hydrobromide (40835-96-9)

Guidance literature:

In methanol; dichloromethane; at 50 ℃; for 0.416667h; under 1500.15 Torr; Flow reactor;

DOI:10.1002/anie.201708533

Reference yield: 78.0%

1H-perimidin-2-amine hydrobromide (40835-96-9) + p-chlorphenylisocyanate (104-12-1) → 1-(4-Chloro-phenyl)-3-(1H-perimidin-2-yl)-urea

Guidance literature:

With triethylamine; In ethanol; at 35 ℃; for 2h;

DOI:10.1002/ardp.19883210712

Reference yield: 75.0%

1H-perimidin-2-amine hydrobromide (40835-96-9) + 3-tolyl isocyanate (621-29-4) → 1-(1H-Perimidin-2-yl)-3-m-tolyl-urea

Guidance literature:

With triethylamine; In ethanol; at 35 ℃; for 2h;

DOI:10.1002/ardp.19883210712

upstream raw materials:

bromocyane

naphthalene-1,8-diamine

Refernces

• 1、 Glotz, Gabriel,Lebl, René,Dallinger, Doris,Kappe, C. Oliver. "Integration of Bromine and Cyanogen Bromide Generators for the Continuous-Flow Synthesis of Cyclic Guanidines". supporting information. p. 13786 - 13789. Retrieved 2017/10/09.