4-(4-Methyl-1,4-diazepan-1-yl)benzonitrile

Base Information

Chemical Name:4-(4-Methyl-1,4-diazepan-1-yl)benzonitrile
CAS No.:166438-80-8
Molecular Formula:C13H17 N3
Molecular Weight:215.298
Hs Code.:
DSSTox Substance ID:DTXSID40592393
Nikkaji Number:J2.437.925F
Wikidata:Q82486484
Mol file:166438-80-8.mol

Synonyms:4-(4-Methyl-1,4-diazepan-1-yl)benzonitrile;166438-80-8;4-(4-METHYL-1,4-DIAZEPAN-1-YL)BENZONITRILE 97;Benzonitrile, 4-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)-;Benzonitrile,4-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)-;SCHEMBL153456;4-(4-methylperhydro-1,4-diazepin-1-yl)benzonitrile;DTXSID40592393;LWRMQRYMWJWCLS-UHFFFAOYSA-N;MFCD08690317;AKOS005766384;BS-21681;4-(4-methylhomopiperazin-1-yl)benzonitrile;DB-106028;CS-0204918

Suppliers and Price of 4-(4-Methyl-1,4-diazepan-1-yl)benzonitrile

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
4-(4-methylperhydro-1,4-diazepin-1-yl)benzonitrile
50mg
$ 45.00

American Custom Chemicals Corporation
4-(4-METHYLPERHYDRO-1,4-DIAZEPIN-1-YL)BENZONITRILE 95.00%
5G
$ 1392.24

American Custom Chemicals Corporation
4-(4-METHYLPERHYDRO-1,4-DIAZEPIN-1-YL)BENZONITRILE 95.00%
1G
$ 768.88

Total 6 raw suppliers

Chemical Property of 4-(4-Methyl-1,4-diazepan-1-yl)benzonitrile

Chemical Property:

Vapor Pressure:1.03E-05mmHg at 25°C
Melting Point:92.5-94.5
Boiling Point:371.5°Cat760mmHg
PKA:8.96±0.10(Predicted)
Flash Point:162°C
PSA：30.27000
Density:1.11g/cm³
LogP:1.70308
XLogP3:1.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:215.142247555
Heavy Atom Count:16
Complexity:260

Purity/Quality:

98%min ^*data from raw suppliers

4-(4-methylperhydro-1,4-diazepin-1-yl)benzonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:C

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1CCCN(CC1)C2=CC=C(C=C2)C#N

Technology Process of 4-(4-Methyl-1,4-diazepan-1-yl)benzonitrile

There total 2 articles about 4-(4-Methyl-1,4-diazepan-1-yl)benzonitrile 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: 61.0%

: 4318-37-0
1-Methylhomopiperazine

: 3058-39-7
4-iodobenzonitrile

: 166438-80-8
4-(4-Methyl-1,4-diazepan-1-yl)benzonitrile

Guidance literature:: With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; sodium t-butanolate; In tetrahydrofuran; for 1h; Reflux; Inert atmosphere;