6-Isopropoxynicotinic acid

Base Information

• Chemical Name: 6-Isopropoxynicotinic acid
• CAS No.: 223127-05-7
• Molecular Formula: C₉H₁₁NO₃
• Molecular Weight: 181.191
• Hs Code.: 2933399090
• European Community (EC) Number: 821-926-9
• DSSTox Substance ID: DTXSID00595249
• Wikidata: Q82490231
• Mol file: 223127-05-7.mol

Synonyms:6-isopropoxynicotinic acid;223127-05-7;6-propan-2-yloxypyridine-3-carboxylic acid;6-(propan-2-yloxy)pyridine-3-carboxylic acid;6-Isopropoxynicotnic acid;MFCD09811743;6-Isopropoxynicotinicacid;3-Pyridinecarboxylicacid, 6-(1-methylethoxy)-;SCHEMBL841924;DTXSID00595249;OOIMOWCIYNEWCF-UHFFFAOYSA-N;YIA12705;BBL031506;STL373084;AKOS000158370;SB52626;BS-13814;SY102560;CS-0043076;EN300-30904;6-[(Propan-2-yl)oxy]pyridine-3-carboxylic acid;A878612;J-014637;F2147-1694;Z285179434

Chemical Property of 6-Isopropoxynicotinic acid

Chemical Property:

• Vapor Pressure: 0.000501mmHg at 25°C
• Refractive Index: 1.53
• Boiling Point: 300.4 °C at 760 mmHg
• Flash Point: 135.5 °C
• PSA: 59.42000
• Density: 1.187 g/cm³
• LogP: 1.56700
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 181.07389321
• Heavy Atom Count: 13
• Complexity: 182

Purity/Quality:

99% ^*data from raw suppliers

6-IsopropoxynicotinicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OC1=NC=C(C=C1)C(=O)O

Technology Process of 6-Isopropoxynicotinic acid

There total 3 articles about 6-Isopropoxynicotinic 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:

2-isopropoxy-5-cyanopyridine (195140-86-4) → 6-isopropoxynicotinic acid (223127-05-7)

Guidance literature:

2-isopropoxy-5-cyanopyridine; With water; sodium hydroxide; at 100 ℃; for 12h;

With hydrogenchloride; In water; pH=5;

Reference yield:

isopropyl 6-isopropoxynicotinate (223127-06-8) → 6-isopropoxynicotinic acid (223127-05-7)

Guidance literature:

Reference yield:

6-chloronicotinonitrile (33252-28-7) → 6-isopropoxynicotinic acid (223127-05-7)

Guidance literature:

Multi-step reaction with 2 steps

1.1: potassium tert-butylate / tetrahydrofuran / 0.08 h / 0 °C

1.2: 0 - 20 °C

2.1: sodium hydroxide; water / Heating / reflux

With sodium hydroxide; potassium tert-butylate; water; In tetrahydrofuran;

upstream raw materials:

isopropyl 6-isopropoxynicotinate

2-isopropoxy-5-cyanopyridine

6-chloronicotinonitrile

Downstream raw materials:

ethyl 2-butyl-3-[4-[2-(2-isopropoxypyridine-5-carbonylamino)ethoxy]phenyl]propionate

Refernces

• 1、 -. "NEW COMPOUNDS 806". Page/Page column 152-153. . Retrieved 2008/12/08.