2-(Isopropylamino)nicotinic acid

Base Information

• Chemical Name: 2-(Isopropylamino)nicotinic acid
• CAS No.: 885275-12-7
• Molecular Formula: C9H12 N2 O2
• Molecular Weight: 180.2
• Hs Code.: 2933399090
• European Community (EC) Number: 871-171-4
• DSSTox Substance ID: DTXSID10563459
• Wikidata: Q82447900
• Mol file: 885275-12-7.mol

Synonyms:2-(Isopropylamino)nicotinic acid;885275-12-7;2-ISOPROPYLAMINO-NICOTINIC ACID;2-[(PROPAN-2-YL)AMINO]PYRIDINE-3-CARBOXYLIC ACID;2-(propan-2-ylamino)pyridine-3-carboxylic acid;2-(Isopropylamino)nicotinicacid;SCHEMBL16878845;DTXSID10563459;MFCD04115113;AKOS000213795;AB19645;2-isopropylamino-nicotinic acid, AldrichCPR;CS-0261743;EN300-79802;G39037;A861999;Z71176798

Chemical Property of 2-(Isopropylamino)nicotinic acid

Chemical Property:

• PSA: 62.22000
• LogP: 1.67310
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 180.089877630
• Heavy Atom Count: 13
• Complexity: 183

Purity/Quality:

97% ^*data from raw suppliers

2-[(propan-2-yl)amino]pyridine-3-carboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)NC1=C(C=CC=N1)C(=O)O

Technology Process of 2-(Isopropylamino)nicotinic acid

There total 1 articles about 2-(Isopropylamino)nicotinic 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-chloronicotinic acid (2942-59-8) + isopropylamine (75-31-0) → 2-(isopropylamino)nicotinic acid (885275-12-7)

Guidance literature:

With pyridine; toluene-4-sulfonic acid; In water; Heating;

DOI:10.1021/jm00172a004

Reference yield:

5-(4-aminophenyl)-1H-naphtho[1,2-e][1,4]diazepin-2(3H)-one + 2-(isopropylamino)nicotinic acid (885275-12-7) → 2-(isopropylamino)-N-[4-(2-oxo-2,3-dihydro-1H-naphtho[1,2-e][1,4]diazepin-5(2H)-yl)phenyl]nicotinamide dihydrochloride

Guidance literature:

5-(4-aminophenyl)-1H-naphtho[1,2-e][1,4]diazepin-2(3H)-one; 2-(isopropylamino)nicotinic acid; With N-ethyl-N,N-diisopropylamine; HATU; In N,N-dimethyl-formamide; at 30 - 90 ℃; Inert atmosphere;

With hydrogenchloride;

Reference yield:

2-(isopropylamino)nicotinic acid (885275-12-7) → Isopropyl-(3-phenylsulfanylmethyl-pyridin-2-yl)-amine (128271-34-1)

Guidance literature:

Multi-step reaction with 3 steps

1: LiAlH₄ / tetrahydrofuran / 24 h / Heating

2: SOCl₂ / CH₂Cl₂ / 16 h / Ambient temperature

3: NaOH / ethanol; H₂O / 16 h / Ambient temperature

With sodium hydroxide; lithium aluminium tetrahydride; thionyl chloride; In tetrahydrofuran; ethanol; dichloromethane; water;

DOI:10.1021/jm00172a004

upstream raw materials:

2-chloronicotinic acid

isopropylamine

Downstream raw materials:

(2-Isopropylamino-pyridin-3-yl)-methanol

Isopropyl-(3-phenylsulfanylmethyl-pyridin-2-yl)-amine

1,3-dihydro-1-(methylethyl)-3-(phenylthio)-2H-pyrrolo[2,3-b]pyridin-2-one