4-Bromopyridine

Base Information

• Chemical Name: 4-Bromopyridine
• CAS No.: 1120-87-2
• Molecular Formula: C5H4BrN
• Molecular Weight: 157.997
• Hs Code.: 2933399090
• European Community (EC) Number: 214-320-5
• DSSTox Substance ID: DTXSID1061520
• Nikkaji Number: J32.654B
• Wikidata: Q229935
• Metabolomics Workbench ID: 57789
• ChEMBL ID: CHEMBL325044
• Mol file: 1120-87-2.mol

Synonyms:4-BROMOPYRIDINE;1120-87-2;Pyridine, 4-bromo-;4-Bromo-Pyridine;4-pyridyl bromide;CHEBI:51576;EINECS 214-320-5;4-bromo pyridine;4-Bromopyridine #;SCHEMBL8135;CHEMBL325044;DTXSID1061520;BCP21648;CS-M0097;BBL009972;MFCD00234035;STK801371;AKOS000445978;AB05093;AM81308;SB75320;AS-56635;SY002728;FT-0602716;A802483;AC-907/25004363;Q229935;4-bromopyridine pound>>4-Bromopyridinehydrochloride

Chemical Property of 4-Bromopyridine

Chemical Property:

• Appearance/Colour: beige moist crystals
• Vapor Pressure: 0.968mmHg at 25°C
• Melting Point: 53-56 °C(lit.)
• Refractive Index: 1.561
• Boiling Point: 185.174 °C at 760 mmHg
• PKA: 3.35±0.10(Predicted)
• Flash Point: 65.791 °C
• PSA: 12.89000
• Density: 1.599 g/cm³
• LogP: 1.84410
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 156.95271
• Heavy Atom Count: 7
• Complexity: 50

Purity/Quality:

99%min ^*data from raw suppliers

4-Bromopyridine 99.28% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=CC=C1Br

Technology Process of 4-Bromopyridine

There total 21 articles about 4-Bromopyridine 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: 100.0%

4-bromopyridine hydrochloride (19524-06-2) → 4-bromopyridin (1120-87-2)

Guidance literature:

With potassium carbonate; In acetonitrile; at 20 ℃; for 6h; Inert atmosphere; Schlenk technique;

DOI:10.1002/chem.201604780

Reference yield: 84.0%

4-bromopyridine-1-oxide (14248-50-1) → 4-bromopyridin (1120-87-2)

Guidance literature:

With titanium; In tetrahydrofuran; for 0.25h; Ambient temperature;

DOI:10.1055/s-1987-28152

Reference yield: 58.0%

4-aminopyridine (504-24-5) → 4-bromopyridin (1120-87-2)

Guidance literature:

4-aminopyridine; With Bromotrichloromethane; sodium nitrite; In water; acetonitrile; at 23 ℃; for 0.0833333h; Sealed tube;

With acetic acid; In water; acetonitrile; at 70 ℃; for 24h; Solvent; Temperature; Sealed tube;

DOI:10.1021/acs.orglett.7b00771

upstream raw materials:

4-aminopyridine

pyridin-4-ol

4-bromopyridine-1-oxide

1-(4-pyridyl)pyridinium chloride hydrochloride

Downstream raw materials:

1-ethyl-4-(2-morpholin-4-yl-ethyl)-3-phenyl-3-pyridin-4-yl-pyrrolidin-2-one

2-(4-pyridinylcarbonyl)benzoic acid

4-trimethylsilylpryridine

4-sec-Butyl-pyridin

Refernces

• 1、 Nie, Weixuan,Tarnopol, Drew E.,McCrory, Charles C. L.. "Enhancing a Molecular Electrocatalyst's Activity for CO2Reduction by Simultaneously Modulating Three Substituent Effects". . p. 3764 - 3778. Retrieved 2021.
• 2、 Breinbauer, Rolf,Doler, Carina,Fuchs, Elisabeth,Grabner, Gernot F.,Mayer, Nicole,Melcher, Michaela-Christina,Migglautsch, Anna K.,Romauch, Matthias,Schweiger, Martina,Zechner, Rudolf,Zimmermann, Robert. "Structure-activity relationship studies for the development of inhibitors of murine adipose triglyceride lipase (ATGL)". supporting information. . Retrieved 2020/07/13.