Name: Name:Isonicotinoyl chloride, HCl
Brand: AABLOCKS
SKU: AA003R19
Rating: 90 (10 reviews)

Isonicotinoyl chloride hydrochloride is utilized as a key reagent in organic synthesis, particularly in the preparation of complex heterocyclic compounds. In this context, it serves as a reactant in the synthesis of 7,16-diisonicotinoyltetraaza[14]annulene, a molecule with a unique tetraazacyclohexadecane core structure. The chloride functionality of isonicotinoyl chloride hydrochloride facilitates its reaction with suitable amine-containing compounds, leading to the formation of amide bonds and the desired tetraazaannulene product. This compound likely acts as a precursor for further functionalization or modification, offering opportunities to tailor its properties for specific applications in materials science or medicinal chemistry.

Catalog No.: AA003R19

39178-35-3 | Isonicotinoyl chloride, HCl

Pack Size： 5g

Purity： 95%

in stock

$7.00 $5.00

Pack Size： 25g

Purity： 95%

in stock

$22.00 $16.00

Quantity

- +

Add to Card

Order Now

bulk Quotation Request

Technical Information

Catalog Number: AA003R19

Chemical Name: Isonicotinoyl chloride, HCl

CAS Number: 39178-35-3

Molecular Formula: C6H5Cl2NO

Molecular Weight: 178.0160

MDL Number: MFCD00012830

SMILES: ClC(=O)c1ccncc1.Cl

NSC Number: 91025

Properties

BP: 252.9°C at 760 mmHg

Form: Solid

MP: 159-161 °C(lit.)

Solubility: methanol: soluble50mg/mL, clear to hazy, colorless to light yellow

Stability: Moisture Sensitive

Storage: Inert atmosphere;Room Temperature;

Complexity: 110

Covalently-Bonded Unit Count: 2

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 10

Hydrogen Bond Acceptor Count: 2

Hydrogen Bond Donor Count: 1

Isotope Atom Count: 0

Rotatable Bond Count: 1

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

Upstream Synthesis Route

67-56-1

39178-35-3

2459-09-8

[1]HelveticaChimicaActa,1948,vol.31,p.571,574

39178-35-3

54-85-3

[1]Pharm.Ind.,1952,vol.14,p.366

39178-35-3

69583-00-2

[1]ZhurnalObshcheiKhimii,1957,vol.27,p.72,75;engl.Ausg.S.83,85

39178-35-3

62-53-3

3034-31-9

[1]OrganicLetters,2017,vol.19,#19,p.5458-5461

[2]JournalofChemicalResearch,Miniprint,1986,#1,p.442-474

[3]Patent:WO2006/4195,2006,A1,.Locationinpatent:Page/Pagecolumn73;132

55-22-1

39178-35-3

[1]JournalofMaterialsChemistry,2011,vol.21,#24,p.8574-8582

[2]RussianJournalofGeneralChemistry,1994,vol.64,#12.2,p.1809-1815

[3]ZhurnalObshcheiKhimii,1994,vol.64,#12,p.2040-2047

[4]Molecules,2001,vol.6,#1,p.47-51

[5]RSCAdvances,2015,vol.5,#105,p.86191-86198

[6]JournalofMedicinalChemistry,1995,vol.38,#1,p.28-33

[7]Chemistry-AEuropeanJournal,2010,vol.16,#20,p.5961-5968

[8]Chemistry-AEuropeanJournal,2006,vol.12,#4,p.1097-1113

[9]Organometallics,2015,vol.34,#11,p.2543-2549

[10]ChemischeBerichte,1926,vol.59,p.1479,1482

[11]JournalofOrganicChemistry,1982,vol.47,#13,p.2633-2637

[12]PhosphorusandSulfurandtheRelatedElements,1981,vol.11,p.33-46

[13]JournalofHeterocyclicChemistry,1992,vol.29,#5,p.1245-1273

[14]ActaPoloniaePharmaceutica,1993,vol.50,#2.3,p.243-248

[15]ChemicalandPharmaceuticalBulletin,1999,vol.47,#7,p.1020-1023

[16]RussianChemicalBulletin,2001,vol.50,#3,p.520-524

[17]Patent:WO2004/76450,2004,A1,.Locationinpatent:Page135

[18]BioorganicandMedicinalChemistry,2008,vol.16,#2,p.890-901

[19]Chemistry-AEuropeanJournal,2010,vol.16,#7,p.2258-2271

[20]Phosphorus,SulfurandSiliconandtheRelatedElements,2011,vol.186,#3,p.552-557

[21]SyntheticCommunications,2012,vol.42,#17,p.2555-2563

[22]MedChemComm,2017,vol.8,#1,p.152-157

[23]EuropeanJournalofMedicinalChemistry,2017,vol.141,p.362-372

Downstream Synthesis Route

504-24-5

39178-35-3

64479-78-3

[1]Gardneretal.[JournalofOrganicChemistry,1954,vol.19,p.753,755]

23244-88-4

39178-35-3

101880-27-7

[1]ZhurnalObshcheiKhimii,1959,vol.29,p.3720,3722;engl.Ausg.S.3677,3678

39178-35-3

6945-92-2

N-ethoxycarbonylmethyl-N,N'-diisonicotinoyl-hydrazine

[1]JournalofOrganicChemistry,1956,vol.21,p.356,360

39178-35-3

99-92-3

68279-83-4

[1]Musante;Fabbrini[Farmaco,EdizioneScientifica,1953,vol.8,p.264,273]

39178-35-3

109-89-7

530-40-5

[1]Canonicaetal.[AnnalidiChimica,1955,vol.45,p.205,213]

[2]Gryszkiewicz-Trochimowski[RocznikiChemii,1931,vol.11,p.193,199][ChemischesZentralblatt,1931,vol.102,#I,p.2880]

[3]Epsztajn,Jan;Brzezinski,JacekZ.;Jozwiak,Andrzej[JournalofChemicalResearch,Miniprint,1986,#1,p.401-441]

Application fold

Isonicotinoyl chloride hydrochloride is utilized as a key reagent in organic synthesis, particularly in the preparation of complex heterocyclic compounds. In this context, it serves as a reactant in the synthesis of 7,16-diisonicotinoyltetraaza[14]annulene, a molecule with a unique tetraazacyclohexadecane core structure. The chloride functionality of isonicotinoyl chloride hydrochloride facilitates its reaction with suitable amine-containing compounds, leading to the formation of amide bonds and the desired tetraazaannulene product. This compound likely acts as a precursor for further functionalization or modification, offering opportunities to tailor its properties for specific applications in materials science or medicinal chemistry.