7-Nitro-2,3,4,5-tetrahydro-1H-benzo[D]azepine

Base Information

• Chemical Name: 7-Nitro-2,3,4,5-tetrahydro-1H-benzo[D]azepine
• CAS No.: 34583-83-0
• Molecular Formula: C10H12N2O2
• Molecular Weight: 192.2145
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID70461907
• Nikkaji Number: J3.122.414D
• Wikidata: Q82286363
• Mol file: 34583-83-0.mol

Synonyms:7-NITRO-2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINE;34583-83-0;7-nitro-2,3,4,5-tetrahydro-1H-3-benzazepine;SCHEMBL717840;DTXSID70461907;TXJXCXSFIVCGDS-UHFFFAOYSA-N;BCP08930;MFCD11109542;AKOS006307413;SY286714;7-nitro-1,2,4,5-tetrahydro-3-benzazepine;FT-0688266;7-Nitro-1,2,4,5-tetrahydro-3H-3-benzazepine;7-nitro-2,3,4,5-tetrahydro-1 H-3-benzazepine

Chemical Property of 7-Nitro-2,3,4,5-tetrahydro-1H-benzo[D]azepine

Chemical Property:

• Vapor Pressure: 8.4E-05mmHg at 25°C
• Boiling Point: 340.8°C at 760 mmHg
• Flash Point: 159.9°C
• PSA: 57.85000
• Density: 1.187g/cm³
• LogP: 2.13500
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 192.089877630
• Heavy Atom Count: 14
• Complexity: 215

Purity/Quality:

98%min ^*data from raw suppliers

7-Nitro-2,3,4,5-tetrahydro-1H-benzo[d]azepine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCCC2=C1C=CC(=C2)[N+](=O)[O-]

Technology Process of 7-Nitro-2,3,4,5-tetrahydro-1H-benzo[D]azepine

There total 15 articles about 7-Nitro-2,3,4,5-tetrahydro-1H-benzo[D]azepine 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: 91.0%

7-nitro-3-(trifluoroacetyl)-2,3,4,5-tetrahydro-1H-3-benzazepine (158726-29-5) → 7-nitro-2,3,4,5-tetrahydro-1H-benzo[d]azepiney (34583-83-0)

Guidance literature:

With methanol; sodium hydroxide; water; at 70 ℃; for 2h;

Reference yield: 90.0%

2,3,4,5-tetrahydro-1H-3-benzazepine (4424-20-8) → 7-nitro-2,3,4,5-tetrahydro-1H-benzo[d]azepiney (34583-83-0)

Guidance literature:

With sulfuric acid; nitric acid; trifluoroacetic acid; at 0 ℃; regioselective reaction;

DOI:10.1016/j.bmcl.2012.11.023

Reference yield: 89.0%

1-(7-nitro-1,2,4,5-tetrahydro-3H-benzo[d]azepin-3-yl)ethan-1-one (34583-86-3) → 7-nitro-2,3,4,5-tetrahydro-1H-benzo[d]azepiney (34583-83-0)

Guidance literature:

With hydrogenchloride; water; Heating;

DOI:10.1016/j.bmcl.2012.11.023

upstream raw materials:

1-(7-nitro-1,2,4,5-tetrahydro-3H-benzo[d]azepin-3-yl)ethan-1-one

2,3,4,5-tetrahydro-1H-3-benzazepine

7-nitro-2,3,4,5-tetrahydro-1H-benzo[d]azepine nitrate salt

7-nitro-3-(trifluoroacetyl)-2,3,4,5-tetrahydro-1H-3-benzazepine

Downstream raw materials:

C₁₆H₁₆N₂O₄S

C₁₈H₁₉N₃O₃

2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-ylamine

[3-(2-methoxy-ethyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-yl]-(7-phenyl-pyrrolo[2,1-f][1,2,4]triazin-2-yl)-amine