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

Base Information

Chemical Name:3,4,9,10-Tetrahydro-10-(4-hydroxyphenyl)pyrrolo(3,4-b)(1,5)benzodiazepin-1(2H)-one
CAS No.:137987-39-4
Molecular Formula:C₁₇H₁₅N₃O₂
Molecular Weight:293.325
Hs Code.:
DSSTox Substance ID:DTXSID80929962
Nikkaji Number:J445.493F
ChEMBL ID:CHEMBL3479834
Mol file:137987-39-4.mol

Synonyms:BRN 5444314;137987-39-4;3,4,9,10-Tetrahydro-10-(4-hydroxyphenyl)pyrrolo(3,4-b)(1,5)benzodiazepin-1(2H)-one;Pyrrolo(3,4-b)(1,5)benzodiazepin-1(2H)-one, 3,4,9,10-tetrahydro-10-(4-hydroxyphenyl)-;4-(4-hydroxyphenyl)-2,4,5,10-tetrahydro-1H-pyrrolo[3,4-c][1,5]benzodiazepin-3-one;3,4,9,10-Tetrahydro-10-(4-hydroxyphenyl)pyrrolo[3,4-b][1,5]benzodiazepin-1(2H)-one;CBMicro_042830;Oprea1_847839;CHEMBL3479834;DTXSID80929962;JBFLPFKPYMHUDS-UHFFFAOYSA-N;STL564746;AKOS030490685;BIM-0042827.P001;LS-139287;AH-262/08501015;SR-01000484110;SR-01000484110-1;10-(4-hydroxyphenyl)-3,4,9,10-tetrahydropyrrolo[3,4-b][1,5]benzodiazepin-1(2H)-one;10-(4-Hydroxyphenyl)-3,4,9,10-tetrahydropyrrolo[3,4-b][1,5]benzodiazepin-1-ol

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

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-(4-hydroxyphenyl)pyrrolo(3,4-b)(1,5)benzodiazepin-1(2H)-one

Chemical Property:

Boiling Point:626.7°Cat760mmHg
Flash Point:332.8°C
PSA：76.88000
Density:1.43g/cm³
LogP:2.90670
XLogP3:1.8
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:293.116426730
Heavy Atom Count:22
Complexity:482

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=C(C=C4)O)C(=O)N1

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

There total 2 articles about 3,4,9,10-Tetrahydro-10-(4-hydroxyphenyl)pyrrolo(3,4-b)(1,5)benzodiazepin-1(2H)-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: 62.0%

: 123-08-0,65581-83-1
4-hydroxy-benzaldehyde

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

: 137987-39-4
10-(4-Hydroxy-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

: 137987-39-4
10-(4-Hydroxy-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: 62 percent / AcOH / ethanol

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