2-Bromo-1,8-naphthyridine

Base Information

• Chemical Name: 2-Bromo-1,8-naphthyridine
• CAS No.: 61323-17-9
• Molecular Formula: C8H5BrN2
• Molecular Weight: 209.045
• Hs Code.: 2933990090
• European Community (EC) Number: 837-683-7
• DSSTox Substance ID: DTXSID80406187
• Wikidata: Q72448367
• Mol file: 61323-17-9.mol

Synonyms:2-bromo-1,8-naphthyridine;61323-17-9;1,8-NAPHTHYRIDINE, 2-BROMO-;1,8-Naphthyridine,2-bromo-;bromonaphthyridine;SCHEMBL899624;DTXSID80406187;BCMGOTDNNMLUBS-UHFFFAOYSA-N;MFCD00234385;STL307597;AKOS002665715;AB05221;AS-58561;SY262277;A8506;CS-0235353;FT-0646388;EN300-155643;W18658;F1957-0122

Chemical Property of 2-Bromo-1,8-naphthyridine

Chemical Property:

• Vapor Pressure: 0.00132mmHg at 25°C
• Melting Point: 152-153 °C
• Refractive Index: 1.685
• Boiling Point: 307.4 °C at 760 mmHg
• PKA: 2.00±0.30(Predicted)
• Flash Point: 139.7 °C
• PSA: 25.78000
• Density: 1.656 g/cm³
• LogP: 2.39230
• Storage Temp.: 2-8°C
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 207.96361
• Heavy Atom Count: 11
• Complexity: 140

Purity/Quality:

98%Min ^*data from raw suppliers

2-Bromo-1,8-naphthyridine 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(N=C1)N=C(C=C2)Br

Technology Process of 2-Bromo-1,8-naphthyridine

There total 3 articles about 2-Bromo-1,8-naphthyridine 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: 69.0%

2-hydroxy-1,8-naphthyridine (15936-09-1) → 2-bromo-1,8-naphthyridine (61323-17-9)

Guidance literature:

With phosphorus(V) oxybromide; In N,N-dimethyl-formamide; at 120 ℃; for 24h;

DOI:10.1039/c6nj03224a

Reference yield:

[1,8]naphthyridin-2-ylamine (15992-83-3) → 2-bromo-1,8-naphthyridine (61323-17-9)

Guidance literature:

[1,8]naphthyridin-2-ylamine; With hydrogen bromide; bromine; In water; at -2 ℃;

With sodium nitrite; In water;

DOI:10.1246/bcsj.20210197

Reference yield:

→ 2-bromo-1,8-naphthyridine (61323-17-9)

Guidance literature:

/BRN= 637199/, POBr3;

DOI:10.1055/s-1976-24162

upstream raw materials:

2-hydroxy-1,8-naphthyridine

[1,8]naphthyridin-2-ylamine

Downstream raw materials:

binaphthyridylamine

methyl N-(tert-butoxycarbonyl)-4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-L-phenylalaninate

methyl N-(tert-butoxycarbonyl)-4-[3-(1,8-naphthyridin-2-yl)prop-1-en-1-yl]-L-phenylalaninate

methyl N-(tert-butoxycarbonyl)-4-[1-methyl-2-(1,8-naphthyridin-2-yl)ethenyl]-L-phenylalaninate

Refernces

• 1、 Kwiatkowski, Adam,Grela, Izabela,O?mia?owski, Borys. "Conformational change in the association of a heterocyclic urea derivative forming two intramolecular hydrogen bonds in polar solvent". . p. 1073 - 1081. Retrieved 2017/02/10.