2-Methyl-1,4,5,6-tetrahydroimidazo[4,5-d][1]benzazepine

Base Information Edit

Chemical Name:2-Methyl-1,4,5,6-tetrahydroimidazo[4,5-d][1]benzazepine
CAS No.:318237-73-9
Molecular Formula:C12H13N3
Molecular Weight:199.25
Hs Code.:2933990090
DSSTox Substance ID:DTXSID80462980
Nikkaji Number:J2.033.016C
Wikidata:Q72490990
Mol file:318237-73-9.mol

Synonyms:318237-73-9;2-Methyl-1,4,5,6-tetrahydrobenzo[b]imidazo[4,5-d]azepine;2-Methyl-1,4,5,6-tetrahydroimidazo[4,5-d][1]benzazepine;2-methyl-3,4,5,6-tetrahydroimidazo[4,5-d][1]benzazepine;SCHEMBL1496025;DTXSID80462980;QUNIZYMESYDMBI-UHFFFAOYSA-N;2-Methyl-1,4,5,6-tetrahydro-1,3,6-triaza-benzo[e]azulene;BCP14425;MFCD11046543;AKOS006307349;AC-26779;BS-49657;AM20090720;CS-0323610;FT-0754280;F19326;EN300-5229884;A857086;Z1198308157;Imidazo[4,5-d][1]benzazepine, 1,4,5,6-tetrahydro-2-methyl-;4-methyl-3,5,9-triazatricyclo[8.4.0.0,2,6]tetradeca-1(14),2(6),3,10,12-pentaene

Suppliers and Price of 2-Methyl-1,4,5,6-tetrahydroimidazo[4,5-d][1]benzazepine

Supply Marketing:Edit

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

Crysdot
2-Methyl-1,4,5,6-tetrahydrobenzo[b]imidazo[4,5-d]azepine 95+%
1g
$ 470.00

American Custom Chemicals Corporation
2-METHYL-1,4,5,6-TETRAHYDRO-1,3,6-TRIAZA-BENZO[E]AZULENE 95.00%
5MG
$ 496.71

Alichem
2-Methyl-1,4,5,6-tetrahydrobenzo[b]imidazo[4,5-d]azepine
5g
$ 2982.84

Alichem
2-Methyl-1,4,5,6-tetrahydrobenzo[b]imidazo[4,5-d]azepine
1g
$ 1195.95

AccelPharmtech
1,4,5,6-tetrahydro-2-methyl-Imidazo[4,5-d][1]benzazepine 97.00%
25G
$ 8620.00

AccelPharmtech
1,4,5,6-tetrahydro-2-methyl-Imidazo[4,5-d][1]benzazepine 97.00%
5G
$ 4560.00

AccelPharmtech
1,4,5,6-tetrahydro-2-methyl-Imidazo[4,5-d][1]benzazepine 97.00%
1G
$ 2640.00

Total 47 raw suppliers

Chemical Property of 2-Methyl-1,4,5,6-tetrahydroimidazo[4,5-d][1]benzazepine Edit

Chemical Property:

Vapor Pressure:2.77E-11mmHg at 25°C
Melting Point:178-180 °C
Refractive Index:1.622
Boiling Point:529.2 °C at 760 mmHg
PKA:14.52±0.20(Predicted)
Flash Point:273.8 °C
PSA：40.71000
Density:1.188 g/cm³
LogP:2.49110
XLogP3:2.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:199.110947427
Heavy Atom Count:15
Complexity:231

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Methyl-1,4,5,6-tetrahydrobenzo[b]imidazo[4,5-d]azepine 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=NC2=C(N1)CCNC3=CC=CC=C32
Uses 2-Methyl-1,4,5,6-tetrahydrobenzo[b]imidazo[4,5-d]azepine is an impurity of Conivaptan(C384700). Conivaptan is used in the treatment of congestive heart failures.

Technology Process of 2-Methyl-1,4,5,6-tetrahydroimidazo[4,5-d][1]benzazepine

There total 9 articles about 2-Methyl-1,4,5,6-tetrahydroimidazo[4,5-d][1]benzazepine 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: 90.0%

: 2-methyl-6-[(4-methylphenyl)sulfonyl]-1,4,5,6-tetrahydroimidazo[4,5-d][1]benzazepine monohydrochloride

: 318237-73-9
2-methyl-1,4,5,6-tetrahydroimidazo[4,5-d][1]benzazepine

Guidance literature:: 2-methyl-6-[(4-methylphenyl)sulfonyl]-1,4,5,6-tetrahydroimidazo[4,5-d][1]benzazepine monohydrochloride; With sulfuric acid; at 80 ℃; for 1h;

With water; In acetonitrile; at 60 ℃; Solvent;
DOI:10.1021/op050061n