5-Bromo-3-pyridylacetic acid

Base Information

• Chemical Name: 5-Bromo-3-pyridylacetic acid
• CAS No.: 39891-12-8
• Molecular Formula: C7H6BrNO2
• Molecular Weight: 216.034
• Hs Code.: 2933399090
• European Community (EC) Number: 670-361-2
• DSSTox Substance ID: DTXSID50384362
• Wikidata: Q72511827
• Mol file: 39891-12-8.mol

Synonyms:5-BROMO-3-PYRIDYLACETIC ACID;39891-12-8;2-(5-bromopyridin-3-yl)acetic acid;3-Pyridineacetic acid, 5-bromo-;(5-BROMO-PYRIDIN-3-YL)-ACETIC ACID;5-BROMO-3-PYRIDINEACETIC ACID;2-(5-Bromopyridin-3-Yl) Acetic Aci;5-BROMO-3-PYRIDYLACETICACID;2-(5-bromo-3-pyridyl)acetic acid;Maybridge4_000672;Oprea1_684958;SCHEMBL334406;5-bromo-3-pyridinylacetic acid;5-bromo-3-pyridyl acetic acid;DTXSID50384362;UETIDNDXXGCJCE-UHFFFAOYSA-N;(5-Bromopyridin-3-yl)acetic acid;HMS1522O12;AMY17257;CCG-42237;MFCD00829308;2-(5-bromo-3-pyridinyl)acetic acid;AKOS016001506;AB07359;AT23257;IDI1_031254;NCGC00177323-01;(5-BROMO-3-PYRIDINYL)ACETIC ACID;2-(5-bromanylpyridin-3-yl)ethanoic acid;AS-59604;FT-0600429;(5-Bromo-3-pyridinyl)acetic acid, AldrichCPR;EN300-175492;A824785;SR-01000632251-1;BRD-K11927380-001-01-4;BRD-K11927380-001-02-2;Z1269198419

Chemical Property of 5-Bromo-3-pyridylacetic acid

Chemical Property:

• Vapor Pressure: 1.7E-05mmHg at 25°C
• Melting Point: 182-185 °C
• Refractive Index: 1.599
• Boiling Point: 349.9 °C at 760 mmHg
• PKA: 3.86±0.10(Predicted)
• Flash Point: 165.4 °C
• PSA: 50.19000
• Density: 1.71 g/cm³
• LogP: 1.47120
• Storage Temp.: 2-8°C
• Water Solubility.: Soluble in water.
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 214.95819
• Heavy Atom Count: 11
• Complexity: 151

Purity/Quality:

99% ^*data from raw suppliers

5-Bromo-3-pyridylaceticacid 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=NC=C1Br)CC(=O)O
• Uses: 5-Bromo-3-pyridineacetic acid acts as an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff field.

Technology Process of 5-Bromo-3-pyridylacetic acid

There total 1 articles about 5-Bromo-3-pyridylacetic acid 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:

→ 5-bromo-3-pyridineacetic acid (39891-12-8)

Guidance literature:

Acetonitril 6, HCl;

Reference yield: 70.0%

2-(4-chloro-2-phenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (1399362-32-3) + 5-bromo-3-pyridineacetic acid (39891-12-8) → 2-[5-(4-chloro-2-phenylphenyl)-3-pyridyl]acetic acid

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; caesium carbonate; In 1,4-dioxane; water; at 90 ℃; for 16h; Inert atmosphere;

Reference yield: 69.0%

5-bromo-3-pyridineacetic acid (39891-12-8) + 5-chloro-2-aminobenzophenone (719-59-5) → 3-(5-bromo-pyridin-3-yl)-6-chloro-4-phenyl-1H-quinolin-2-one (835880-79-0)

Guidance literature:

5-bromo-3-pyridineacetic acid; 5-chloro-2-aminobenzophenone; With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; at 20 ℃;

With piperidine; In dichloromethane; toluene; at 100 ℃; for 2h;

Downstream raw materials:

(5-bromo-pyridin-3-yl)-acetic acid methyl ester

methyl 2-(5-bromopyridin-3-yl)-3-(furan-2-yl)-3-oxopropanoate

3-(5-bromo-pyridin-3-yl)-6-chloro-4-phenyl-1H-quinolin-2-one

(5-bromo-pyridin-3-yl)-acetic acid ethyl ester