N'-(1-Methylazepan-4-yl)benzohydrazide

Base Information

• Chemical Name: N'-(1-Methylazepan-4-yl)benzohydrazide
• CAS No.: 110406-94-5
• Molecular Formula: C14H21N3O
• Molecular Weight: 247.34
• Hs Code.: 2933990090
• European Community (EC) Number: 830-071-0
• UNII: X4157Q0DP6
• Wikidata: Q27293532
• Mol file: 110406-94-5.mol

Synonyms:N'-(1-Methylazepan-4-yl)benzohydrazide;110406-94-5;Benzoic acid, 2-(hexahydro-1-methyl-1H-azepin-4-yl)hydrazide;1-Benzoyl-2-(1-methylhexahydro-1H-azepin-4-yl)diazane;X4157Q0DP6;(+/-)-1-Benzoyl-2-(1-methylhexahydro-1H-azepin-4-yl)diazane;1-Benzoyl-2-((4RS)-1-methylhexahydro-1H-azepin-4-yl)diazane;1-Benzoyl-2-(1-methylhexahydro-1H-azepin-4-yl)diazane, (+/-)-;UNII-X4157Q0DP6;Azelastine hydrochloride impurity B [EP];Benzoic acid N'-(1-methyl-azepan-4-yl)-hydrazide;SCHEMBL10559795;AKOS016006643;SB85964;A852446;Q27293532;AZELASTINE HYDROCHLORIDE IMPURITY B [EP IMPURITY];Benzoic acid,2-(hexahydro-1-methyl-1H-azepin-4-yl)hydrazide

Chemical Property of N'-(1-Methylazepan-4-yl)benzohydrazide

Chemical Property:

• Boiling Point: 345.6±42.0 °C(Predicted)
• PKA: 12.44±0.20(Predicted)
• PSA: 47.86000
• Density: 1.11±0.1 g/cm3(Predicted)
• LogP: 2.30890
• Storage Temp.: 2-8°C
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 247.168462302
• Heavy Atom Count: 18
• Complexity: 264

Purity/Quality:

98%min ^*data from raw suppliers

Azelastine impurity B European Pharmacopoeia (EP) Reference Standard ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCCC(CC1)NNC(=O)C2=CC=CC=C2

Technology Process of N'-(1-Methylazepan-4-yl)benzohydrazide

There total 1 articles about N'-(1-Methylazepan-4-yl)benzohydrazide 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:

1-methyl-1,2,3,5,6,7-hexahydroazepin-4-one (1859-33-2) + benzoic acid hydrazide (613-94-5) → C14H21N3O (110406-94-5)

Guidance literature:

1-methyl-1,2,3,5,6,7-hexahydroazepin-4-one; benzoic acid hydrazide; With potassium hydroxide; In water; at 25 - 35 ℃; for 1h;

With sodium tetrahydroborate; In water; at 0 - 10 ℃; for 2h;

Reference yield: 76.8%

(2E)-but-2-enedioic acid (110-17-8,26099-09-2) + C14H21N3O (110406-94-5) → C14H23N3O(2+)*C4H2O4(2-)

Guidance literature:

In tetrahydrofuran; at 0 - 10 ℃; for 1h; Reflux;

Reference yield: 75.9%

succinic acid (110-15-6) + C14H21N3O (110406-94-5) → C14H23N3O(2+)*C4H4O4(2-)

Guidance literature:

In acetonitrile; at 0 - 10 ℃; for 1h; Solvent; Reflux;

upstream raw materials:

1-methyl-1,2,3,5,6,7-hexahydroazepin-4-one

benzoic acid hydrazide

Downstream raw materials:

azelastine

azelastine hydrochloride

Refernces