2-Quinolinepropanoic acid

Base Information

• Chemical Name: 2-Quinolinepropanoic acid
• CAS No.: 39111-94-9
• Molecular Formula: C₁₂H₁₁NO₂
• Molecular Weight: 201.225
• Hs Code.: 2933499090
• European Community (EC) Number: 847-795-8
• NSC Number: 99366
• DSSTox Substance ID: DTXSID80295033
• Wikidata: Q82034701
• ChEMBL ID: CHEMBL4218506
• Mol file: 39111-94-9.mol

Synonyms:2-quinolinepropanoic acid;39111-94-9;3-quinolin-2-ylpropanoic acid;3-(quinolin-2-yl)propanoic acid;CHEMBL4218506;2-Quinolinepropionic acid;quinolinepropanoic acid;SCHEMBL547194;3-(quinolin-2-yl)propanoicacid;DTXSID80295033;HMS1781B16;NSC99366;3-QUINOLIN-2-YLPROPANOICACID;BDBM50455899;MFCD06655354;NSC-99366;AKOS008987597;SB71007;BS-13993;3-quinolin-2-ylpropanoic acid, AldrichCPR;CS-0006585;EN300-12576;EYY

Chemical Property of 2-Quinolinepropanoic acid

Chemical Property:

• Vapor Pressure: 2.88E-06mmHg at 25°C
• Melting Point: 126 - 128 °C
• Refractive Index: 1.64
• Boiling Point: 374.302 °C at 760 mmHg
• Flash Point: 180.172 °C
• PSA: 50.19000
• Density: 1.252 g/cm³
• LogP: 2.25200
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 201.078978594
• Heavy Atom Count: 15
• Complexity: 230

Purity/Quality:

99%, ^*data from raw suppliers

3-(quinolin-2-yl)propanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=CC(=N2)CCC(=O)O

Technology Process of 2-Quinolinepropanoic acid

There total 9 articles about 2-Quinolinepropanoic 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:

(E)-3-(2-quinolinyl)-2-propenoic acid (81124-50-7,6287-63-4) → 3-(quinoline-2-yl)propanoic acid (39111-94-9)

Guidance literature:

With hydrogenchloride; tin;

Reference yield:

2-tribromomethyl-quinoline (613-53-6) → 3-(quinoline-2-yl)propanoic acid (39111-94-9)

Guidance literature:

Multi-step reaction with 3 steps

1: acetone; tin (II)-bromide

2: ethanolic sodium ethylate

3: ethanolic KOH

With potassium hydroxide; sodium ethanolate; tin(II) bromide; acetone;

Reference yield:

1-benzoyl-1,2-dihydro-quinoline-2-carbonitrile (13721-17-0) + acrylonitrile (107-13-1,25014-41-9) → 3-(quinoline-2-yl)propanoic acid (39111-94-9)

Guidance literature:

With 1,4-dioxane; diethyl ether; phenyllithium; Erhitzen des Reaktionsprodukts in wss. KOH;

DOI:10.1021/ja01111a022

upstream raw materials:

1-benzoyl-1,2-dihydro-quinoline-2-carbonitrile

acrylonitrile

2-[2]quinolylmethyl-acetoacetic acid ethyl ester

(E)-3-(2-quinolinyl)-2-propenoic acid

Downstream raw materials:

ethyl 3-(quinolin-2-yl)propanoate