2-(6-(4-Chlorophenyl)-8-methoxy-1-methyl-4H-benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepin-4-yl)acetic acid

Base Information

Chemical Name:2-(6-(4-Chlorophenyl)-8-methoxy-1-methyl-4H-benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepin-4-yl)acetic acid
CAS No.:1260530-42-4
Molecular Formula:C20H17ClN4O3
Molecular Weight:396.82698
Hs Code.:
DSSTox Substance ID:DTXSID401116557
Mol file:1260530-42-4.mol

Synonyms:1260530-42-4;2-(6-(4-Chlorophenyl)-8-methoxy-1-methyl-4H-benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepin-4-yl)acetic acid;4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine-4-acetic acid, 6-(4-chlorophenyl)-8-methoxy-1-methyl-;2-[6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]acetic acid;SCHEMBL17451427;DTXSID401116557;CS-M2019;AKOS037651582;CS-17101;2-(6-(4-Chlorophenyl)-8-methoxy-1-methyl-4H-benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepin-4-yl)aceticacid;4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine-4-acetic acid,6-(4-chlorophenyl)-8-Methoxy-1-Methyl-;6-(4-Chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-4-acetic acid

Suppliers and Price of 2-(6-(4-Chlorophenyl)-8-methoxy-1-methyl-4H-benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepin-4-yl)acetic acid

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

Total 6 raw suppliers

Chemical Property of 2-(6-(4-Chlorophenyl)-8-methoxy-1-methyl-4H-benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepin-4-yl)acetic acid

Chemical Property:

Boiling Point:648.3±65.0 °C(Predicted)
PKA:4.12±0.10(Predicted)
PSA：89.60000
Density:1.44±0.1 g/cm3(Predicted)
LogP:3.04010
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:396.0989181
Heavy Atom Count:28
Complexity:610

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=NN=C2N1C3=C(C=C(C=C3)OC)C(=NC2CC(=O)O)C4=CC=C(C=C4)Cl

Technology Process of 2-(6-(4-Chlorophenyl)-8-methoxy-1-methyl-4H-benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepin-4-yl)acetic acid

There total 5 articles about 2-(6-(4-Chlorophenyl)-8-methoxy-1-methyl-4H-benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepin-4-yl)acetic acid 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: 98.0%

: 1260530-41-3
methyl [6-(4-chlorophenyl)-1-methyl-8-(methyloxy)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]acetate

: 1260530-42-4
[6-(4-chlorophenyl)-1-methyl-8-(methyloxy)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]acetic acid

Guidance literature:: With sodium hydroxide; In tetrahydrofuran; at 20 ℃; for 5h;
DOI:10.1021/jm200108t

Reference yield:

: C₂₁H₂₁ClN₄O₄

: 1260530-42-4
[6-(4-chlorophenyl)-1-methyl-8-(methyloxy)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]acetic acid

Guidance literature:: Multi-step reaction with 2 steps

1: acetic acid / tetrahydrofuran / 2 h / 20 °C

2: sodium hydroxide / tetrahydrofuran / 5 h / 20 °C

With acetic acid; sodium hydroxide; In tetrahydrofuran;
DOI:10.1021/jm200108t

Reference yield:

: 1300019-46-8
(S)-methyl 2-(5-(4-chlorophenyl)-7-methoxy-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)acetate

: 1260530-42-4
[6-(4-chlorophenyl)-1-methyl-8-(methyloxy)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]acetic acid

Guidance literature:: Multi-step reaction with 4 steps

1.1: Lawessons reagent / toluene / 4 h / Reflux

2.1: hydrazine hydrate / tetrahydrofuran / 5 h / 0 °C

2.2: 16 h / 0 - 20 °C

3.1: acetic acid / tetrahydrofuran / 2 h / 20 °C

4.1: sodium hydroxide / tetrahydrofuran / 5 h / 20 °C

With Lawessons reagent; hydrazine hydrate; acetic acid; sodium hydroxide; In tetrahydrofuran; toluene;
DOI:10.1021/jm200108t