1H-1,5,3-Benzodiazaphosphepine, 2,3,4,5-tetrahydro-3-phenyl-

Base Information

• Chemical Name: 1H-1,5,3-Benzodiazaphosphepine, 2,3,4,5-tetrahydro-3-phenyl-
• CAS No.: 82409-33-4
• Molecular Formula: C14H15N2P
• Molecular Weight: 242.2561
• DSSTox Substance ID: DTXSID10231722
• Wikidata: Q83112646

Synonyms:82409-33-4;BRN 5025133;1H-1,5,3-Benzodiazaphosphepine, 2,3,4,5-tetrahydro-3-phenyl-;2,3,4,5-Tetrahydro-3-phenyl-1H-1,5,3-benzodiazaphosphepine;3-Phenyl-2,3,4,5-tetrahydro-1H-benzo[f][1,5,3]diazaphosphepine;C14H15N2P;DTXSID10231722;C14-H15-N2-P;LS-33983

Chemical Property of 1H-1,5,3-Benzodiazaphosphepine, 2,3,4,5-tetrahydro-3-phenyl-

Chemical Property:

• Vapor Pressure: 7.52E-08mmHg at 25°C
• Boiling Point: 437.4°C at 760 mmHg
• Flash Point: 218.3°C
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 242.097285485
• Heavy Atom Count: 17
• Complexity: 224

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1NC2=CC=CC=C2NCP1C3=CC=CC=C3

Technology Process of 1H-1,5,3-Benzodiazaphosphepine, 2,3,4,5-tetrahydro-3-phenyl-

There total 2 articles about 1H-1,5,3-Benzodiazaphosphepine, 2,3,4,5-tetrahydro-3-phenyl- 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: 89.0%

1,2-diamino-benzene (95-54-5) + bis(hydroxymethyl)phenylphosphine (3127-08-0) → 3-phenyl-6,7-benzo-1,5-diaza-3-phosphepane (82409-33-4)

Guidance literature:

In benzene; for 3h; Heating;

DOI:10.1007/BF00948268

Reference yield: 81.0%

bis(phenylaminomethyl)phenylphosphine (72936-83-5) + 1,2-diamino-benzene (95-54-5) → 3-phenyl-6,7-benzo-1,5-diaza-3-phosphepane (82409-33-4)

Guidance literature:

In benzene; Heating;

DOI:10.1007/BF00954289

Reference yield: 98.0%

3-phenyl-6,7-benzo-1,5-diaza-3-phosphepane (82409-33-4) → 3-phenyl-3-thio-6,7-benzo-1,5-diaza-3-phosphepane (82409-34-5)

Guidance literature:

With sulfur; In acetonitrile; Heating;

DOI:10.1007/BF00948268

upstream raw materials:

bis(phenylaminomethyl)phenylphosphine

1,2-diamino-benzene

bis(hydroxymethyl)phenylphosphine

Downstream raw materials:

3-phenyl-3-thio-6,7-benzo-1,5-diaza-3-phosphepane

9,10-benzo-3,7-diphenyl-1,5-diaza-3,7-diphosphabicyclo<3.3.2>decane

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