5-Methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one

Base Information

Chemical Name:5-Methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
CAS No.:33035-62-0
Molecular Formula:C10H12N2O
Molecular Weight:176.218
Hs Code.:
DSSTox Substance ID:DTXSID00544737
Wikidata:Q82421984
Mol file:33035-62-0.mol

Synonyms:33035-62-0;5-Methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one;4,5-dihydro-5-Methyl-1H-benzo[b][1,4]diazepin-2(3H)-one;5-METHYL-3,4-DIHYDRO-1H-1,5-BENZODIAZEPIN-2-ONE;SCHEMBL11071961;DTXSID00544737;5-methyl-1,3,4,5-tetrahydro-2H-benzo[b][1,4]diazepin-2-one;AKOS017668654;AM806896;5-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one

Suppliers and Price of 5-Methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one

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
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price

Total 3 raw suppliers

Chemical Property of 5-Methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one

Chemical Property:

PSA：35.83000
LogP:1.61510
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:176.094963011
Heavy Atom Count:13
Complexity:205

Purity/Quality:: 98% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CN1CCC(=O)NC2=CC=CC=C21

Technology Process of 5-Methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one

There total 3 articles about 5-Methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one 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: 58.0%

: 710349-37-4
3-(methyl-(2-nitrophenyl)amino)propanoic acid

: 33035-62-0
5-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one

Guidance literature:: With phosphoric acid; zinc; In 1,4-dioxane; for 2h; Heating;
DOI:10.1016/j.bmc.2004.03.023

Reference yield:

: 612-28-2
2-nitro-N-methylaniline

: 33035-62-0
5-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one

Guidance literature:: Multi-step reaction with 2 steps

1: H₂SO₄ / 0.25 h / 75 - 80 °C

2: 58 percent / zinc; aq. H₃PO₄ / dioxane / 2 h / Heating

With phosphoric acid; sulfuric acid; zinc; In 1,4-dioxane;
DOI:10.1016/j.bmc.2004.03.023