1,3-Dimethyl-2-phenyl-2,3-dihydro-1H-1,3,2-benzodiazaphosphole 2-sulfide

Base Information

• Chemical Name: 1,3-Dimethyl-2-phenyl-2,3-dihydro-1H-1,3,2-benzodiazaphosphole 2-sulfide
• CAS No.: 4600-12-8
• Molecular Formula: C14H15N2PS
• Molecular Weight: 274.3211
• NSC Number: 88391
• UNII: V4VN3V5DPM
• DSSTox Substance ID: DTXSID30196687
• Wikidata: Q83069709

Synonyms:1,3-Dimethyl-2-phenyl-2,3-dihydro-1H-1,3,2-benzodiazaphosphole 2-sulfide;V4VN3V5DPM;4600-12-8;NSC88391;UNII-V4VN3V5DPM;NSC 88391;NSC-88391;NCIOpen2_005154;DTXSID30196687;1,3-dimethyl-2-phenyl-2-thioxo-1,3,2$l^{5}-benzodiazaphosphole;1,3-dimethyl-2-phenyl-2-sulfanylidene-1,3,2lambda5-benzodiazaphosphole;1H-1,3,2-Benzodiazaphosphole, 2,3-dihydro-1,3-dimethyl-2-phenyl-, 2-sulfide

Chemical Property of 1,3-Dimethyl-2-phenyl-2,3-dihydro-1H-1,3,2-benzodiazaphosphole 2-sulfide

Chemical Property:

• Vapor Pressure: 1.77E-06mmHg at 25°C
• Boiling Point: 396°Cat760mmHg
• Flash Point: 193.3°C
• Density: 1.29g/cm³
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 274.06935666
• Heavy Atom Count: 18
• Complexity: 332

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=CC=CC=C2N(P1(=S)C3=CC=CC=C3)C

Technology Process of 1,3-Dimethyl-2-phenyl-2,3-dihydro-1H-1,3,2-benzodiazaphosphole 2-sulfide

There total 3 articles about 1,3-Dimethyl-2-phenyl-2,3-dihydro-1H-1,3,2-benzodiazaphosphole 2-sulfide 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:

N,N'-dimethyl-1,2-phenylenediamine (3213-79-4) + phenylthiophosphonic acid dichloride (3497-00-5) → 1,3-Dimethyl-2-phenyl-2,3-dihydro-1H-1,3,2-benzodiaza-phosphol-2-sulfid (4600-12-8)

Guidance literature:

DOI:10.1139/v65-469

Reference yield:

Dichlorophenylphosphine (644-97-3) + N,N'-dimethyl-1,2-phenylenediamine (3213-79-4) → 1,3-Dimethyl-2-phenyl-2,3-dihydro-1H-1,3,2-benzodiaza-phosphol-2-sulfid (4600-12-8)

Guidance literature:

Multistep reaction; (i) Et₃N, benzene, (ii) sulfur;

Reference yield:

bis(diethylamino)phenylphosphine (1636-14-2) + N,N'-dimethyl-1,2-phenylenediamine (3213-79-4) → 1,3-Dimethyl-2-phenyl-2,3-dihydro-1H-1,3,2-benzodiaza-phosphol-2-sulfid (4600-12-8)

Guidance literature:

Multistep reaction; (i) (heating), (ii) sulfur, benzene;

upstream raw materials:

Dichlorophenylphosphine

N,N'-dimethyl-1,2-phenylenediamine

bis(diethylamino)phenylphosphine

phenylthiophosphonic acid dichloride

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