4H-Pyrido(4',3':4,5)thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine, 7,8,9,10-tetrahydro-6-(2-chlorophenyl)-9-(cyclopropylcarbonyl)-1,4-dimethyl-, (S)-

Base Information

Chemical Name:4H-Pyrido(4',3':4,5)thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine, 7,8,9,10-tetrahydro-6-(2-chlorophenyl)-9-(cyclopropylcarbonyl)-1,4-dimethyl-, (S)-
CAS No.:131614-02-3
Molecular Formula:C23H22ClN5OS
Molecular Weight:451.98
Hs Code.:
DSSTox Substance ID:DTXSID20157146
Nikkaji Number:J367.303K
ChEMBL ID:CHEMBL114014

4H-Pyrido(4',3':4,5)thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine, 7,8,9,10-tetrahydro-6-(2-chlorophenyl)-9-(cyclopropylcarbonyl)-1,4-dimethyl-, (S)-

Synonyms:6-(2-chlorophenyl)-3-cyclopropanecarbonyl-8,11-dimethyl-2,3,4,5-tetrahydro-8H-pyrido(4',3'-4,5)-thieno-(3,2-f)-1,2,4-triazolo(4,3-a)(1,4)diazepine;E 6123;E-6123

Suppliers and Price of 4H-Pyrido(4',3':4,5)thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine, 7,8,9,10-tetrahydro-6-(2-chlorophenyl)-9-(cyclopropylcarbonyl)-1,4-dimethyl-, (S)-

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

American Custom Chemicals Corporation
E-6123 95.00%
10MG
$ 726.44

Total 1 raw suppliers

Chemical Property of 4H-Pyrido(4',3':4,5)thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine, 7,8,9,10-tetrahydro-6-(2-chlorophenyl)-9-(cyclopropylcarbonyl)-1,4-dimethyl-, (S)-

Chemical Property:

Boiling Point:720.4oC at 760 mmHg
Flash Point:389.5oC
PSA：91.62000
Density:1.57g/cm3
LogP:3.87080
XLogP3:3.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:451.1233592
Heavy Atom Count:31
Complexity:762

Purity/Quality:: E-6123 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1C2=NN=C(N2C3=C(C4=C(S3)CN(CC4)C(=O)C5CC5)C(=N1)C6=CC=CC=C6Cl)C
Isomeric SMILES:C[C@H]1C2=NN=C(N2C3=C(C4=C(S3)CN(CC4)C(=O)C5CC5)C(=N1)C6=CC=CC=C6Cl)C

Technology Process of 4H-Pyrido(4',3':4,5)thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine, 7,8,9,10-tetrahydro-6-(2-chlorophenyl)-9-(cyclopropylcarbonyl)-1,4-dimethyl-, (S)-

There total 21 articles about 4H-Pyrido(4',3':4,5)thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine, 7,8,9,10-tetrahydro-6-(2-chlorophenyl)-9-(cyclopropylcarbonyl)-1,4-dimethyl-, (S)- 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: 92.0%

: 4023-34-1
cyclopropanecarboxylic acid chloride

: 130311-76-1
(-)-6-(2-chlorophenyl)-8,11-dimethyl-2,3,4,5-tetrahydro-8H-pyrido<4',3':4,5>thieno<3,2-f><1,2,4>triazolo<4,3-a><1,4>diazepine

: 131614-02-3
E-6123

Guidance literature:: With pyridine; In dichloromethane; for 1h; Ambient temperature;
DOI:10.1248/cpb.40.521

Reference yield:

: 130311-75-0
6-(2-chlorophenyl)-8,11-dimethyl-2,3,4,5-tetrahydro-8H-pyrido<4',3':4,5>thieno<3,2-f><1,2,4>triazolo<4,3-a><1,4>diazepine

: 131614-02-3
E-6123

Guidance literature:: Multi-step reaction with 2 steps

2: 92 percent / pyridine / CH₂Cl₂ / 1 h / Ambient temperature

With pyridine; In dichloromethane;
DOI:10.1248/cpb.40.521

Reference yield:

: 32161-06-1
1-acetyl-4-piperidinone

: 130310-40-6,130311-02-3,131614-02-3,140224-77-7
(+)-6-(2-chlorophenyl)-3-cyclopropanecarbonyl-8,11-dimethyl-2,3,4,5-tetrahydro-8H-pyrido<4',3':4,5>thieno<3,2-f><1,2,4>triazolo<4,3><1,4>-diazepine

Guidance literature:: Multi-step reaction with 8 steps

1: 75 percent / S, Et₃N / dimethylformamide / 1 h / 60 °C

2: 95 percent / NaHCO₃ / toluene; H₂O / 60 °C

3: liquid NH₃ / 1,2-dichloro-ethane; ethyl acetate / 1 h / 100 °C

4: pyridine, AcOH / toluene / 24 h / Heating

5: P₂S₅, NaHCO₃ / 1,2-dimethoxy-ethane / 4 h / Heating

6: dioxane / 5 h / 100 °C

7: 66 percent / 4 N aq. NaOH / methanol / 5 h / Heating

8: pyridine / CH₂Cl₂ / 1 h / Ambient temperature

With pyridine; sodium hydroxide; tetraphosphorus decasulfide; ammonia; sodium hydrogencarbonate; acetic acid; triethylamine; In 1,4-dioxane; methanol; 1,2-dimethoxyethane; dichloromethane; water; ethyl acetate; 1,2-dichloro-ethane; N,N-dimethyl-formamide; toluene;
DOI:10.1248/cpb.39.3215