3,4,9,10-Tetrahydro-10-phenylpyrrolo(3,4-b)(1,5)benzodiazepin-1(2H)-one hydrate

Base Information

Chemical Name:3,4,9,10-Tetrahydro-10-phenylpyrrolo(3,4-b)(1,5)benzodiazepin-1(2H)-one hydrate
CAS No.:137987-36-1
Molecular Formula:C17H15N3O
Molecular Weight:277.3205
Hs Code.:
DSSTox Substance ID:DTXSID50929959
Nikkaji Number:J445.490A
ChEMBL ID:CHEMBL1372313
Mol file:137987-36-1.mol

Synonyms:MLS000106925;137987-36-1;3,4,9,10-Tetrahydro-10-phenylpyrrolo(3,4-b)(1,5)benzodiazepin-1(2H)-one hydrate;Pyrrolo(3,4-b)(1,5)benzodiazepin-1(2H)-one, 3,4,9,10-tetrahydro-10-phenyl-, hydrate;SMR000111300;Opera_ID_1016;ChemDiv2_000508;Oprea1_582568;C17H15N3O.H2O;CHEMBL1372313;SCHEMBL13602795;DTXSID50929959;HMS1370H02;HMS2495P04;AKOS030490721;C17-H15-N3-O.H2-O;CCG-108283;LS-139290;AB00086439-01;SR-01000454916;SR-01000454916-1;10-Phenyl-3,4,9,10-tetrahydropyrrolo[3,4-b][1,5]benzodiazepin-1-ol;3,4,9,10-Tetrahydro-10-(phenyl)pyrrolo[3,4-b][1,5]benzodiazepin-1(2H)-one

Suppliers and Price of 3,4,9,10-Tetrahydro-10-phenylpyrrolo(3,4-b)(1,5)benzodiazepin-1(2H)-one hydrate

Supply Marketing:

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

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Chemical Property of 3,4,9,10-Tetrahydro-10-phenylpyrrolo(3,4-b)(1,5)benzodiazepin-1(2H)-one hydrate

Chemical Property:

Vapor Pressure:9.03E-13mmHg at 25°C
Boiling Point:564.6°Cat760mmHg
Flash Point:227.4°C
PSA：56.65000
Density:1.33g/cm³
LogP:3.20110
XLogP3:2.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:277.121512110
Heavy Atom Count:21
Complexity:453

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C2=C(C(NC3=CC=CC=C3N2)C4=CC=CC=C4)C(=O)N1

Technology Process of 3,4,9,10-Tetrahydro-10-phenylpyrrolo(3,4-b)(1,5)benzodiazepin-1(2H)-one hydrate

There total 2 articles about 3,4,9,10-Tetrahydro-10-phenylpyrrolo(3,4-b)(1,5)benzodiazepin-1(2H)-one hydrate 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: 94.0%

: 100-52-7
benzaldehyde

: 137987-35-0
4-(2-aminophenyl)aminopyrroline-2-one

: 137987-36-1
10-Phenyl-3,4,9,10-tetrahydro-2H-benzo[b]pyrrolo[3,4-e][1,4]diazepin-1-one

Guidance literature:: With acetic acid; In ethanol;
DOI:10.1007/BF00767253

Reference yield:

: 95-54-5
1,2-diamino-benzene

: 137987-36-1
10-Phenyl-3,4,9,10-tetrahydro-2H-benzo[b]pyrrolo[3,4-e][1,4]diazepin-1-one

Guidance literature:: Multi-step reaction with 2 steps

1: 77 percent / methanol / 1 h / Heating

2: 94 percent / AcOH / ethanol

With acetic acid; In methanol; ethanol;
DOI:10.1007/BF00767253