2-Phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine

Base Information

Chemical Name:2-Phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
CAS No.:394655-11-9
Molecular Formula:C₁₅H₁₆N₂
Molecular Weight:224.305
Hs Code.:2933990090
DSSTox Substance ID:DTXSID30377994
Mol file:394655-11-9.mol

Synonyms:2-Phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine;394655-11-9;4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine;MFCD06245351;2-Phenyl-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepine;DTXSID30377994;AKOS005254646;PS-3049

Suppliers and Price of 2-Phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine

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

SynQuest Laboratories
2-Phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
500 mg
$ 168.00

Crysdot
2-Phenyl-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepine 97%
250mg
$ 339.00

American Custom Chemicals Corporation
2-PHENYL-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE 95.00%
500MG
$ 861.28

Total 10 raw suppliers

Chemical Property of 2-Phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine

Chemical Property:

Vapor Pressure:7.74E-07mmHg at 25°C
Refractive Index:1.575
Boiling Point:407.1 °C at 760 mmHg
Flash Point:262.9 °C
PSA：24.06000
Density:1.61 g/cm³
LogP:3.93140
XLogP3:3.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:224.131348519
Heavy Atom Count:17
Complexity:235

Purity/Quality:

97% ^*data from raw suppliers

2-Phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CNC2=CC=CC=C2NC1C3=CC=CC=C3

Technology Process of 2-Phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine

There total 2 articles about 2-Phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine 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:

: 99686-39-2
(E)-2-bromo-3-phenylprop-2-enal

: 394655-11-9
(R)-2-phenyl-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepine

Guidance literature:: Multi-step reaction with 2 steps

1: (5aR,10bS)-2-mesityl-5a,10b-dihydro-4H,6H-indeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxazin-2-ium tetrafluoroborate; sodium acetate / dichloromethane / 20 °C / Molecular sieve; Inert atmosphere

2: lithium aluminium tetrahydride / tetrahydrofuran / 5 h / 70 °C / Inert atmosphere

With lithium aluminium tetrahydride; (5aR,10bS)-2-mesityl-5a,10b-dihydro-4H,6H-indeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxazin-2-ium tetrafluoroborate; sodium acetate; In tetrahydrofuran; dichloromethane;
DOI:10.1002/chem.201705050

Reference yield:

: 33603-90-6
(2Z)-2-bromo-3-phenyl-2-propenal

: 394655-11-9
(R)-2-phenyl-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepine

Guidance literature:: Multi-step reaction with 2 steps

1: (5aR,10bS)-2-mesityl-5a,10b-dihydro-4H,6H-indeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxazin-2-ium tetrafluoroborate; sodium acetate / dichloromethane / 20 °C / Molecular sieve; Inert atmosphere

2: lithium aluminium tetrahydride / tetrahydrofuran / 5 h / 70 °C / Inert atmosphere

With lithium aluminium tetrahydride; (5aR,10bS)-2-mesityl-5a,10b-dihydro-4H,6H-indeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxazin-2-ium tetrafluoroborate; sodium acetate; In tetrahydrofuran; dichloromethane;
DOI:10.1002/chem.201705050