4-(Phenylthio)benzene-1,2-diamine

Base Information

• Chemical Name: 4-(Phenylthio)benzene-1,2-diamine
• CAS No.: 43156-48-5
• Molecular Formula: C12H12 N2 S
• Molecular Weight: 216.307
• Hs Code.: 2930909090
• European Community (EC) Number: 256-122-1
• DSSTox Substance ID: DTXSID10195734
• Nikkaji Number: J319.911H
• Wikidata: Q83068785
• Mol file: 43156-48-5.mol

Synonyms:4-(Phenylthio)benzene-1,2-diamine;43156-48-5;5-phenylthio-1,2-diaminobenzene;4-phenylsulfanylbenzene-1,2-diamine;5-phenylthio-1,2-diamino benzene;4-(Phenylthio)-1,2-benzenediamine;EINECS 256-122-1;SCHEMBL6366825;1,2-diamino-4-phenylthiobenzene;DTXSID10195734;YLEPPBFOGUYOEI-UHFFFAOYSA-N;MFCD01073766;AKOS015967127;SB79078;DS-17543;CS-0186894;FT-0639836;A924065

Chemical Property of 4-(Phenylthio)benzene-1,2-diamine

Chemical Property:

• Vapor Pressure: 5.41E-08mmHg at 25°C
• Boiling Point: 441.5°Cat760mmHg
• PKA: 3.36±0.10(Predicted)
• Flash Point: 220.8°C
• PSA: 77.34000
• Density: 1.26g/cm³
• LogP: 4.16460
• Storage Temp.: 2-8°C(protect from light)
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 216.07211956
• Heavy Atom Count: 15
• Complexity: 192

Purity/Quality:

99%, ^*data from raw suppliers

4-(Phenylthio)-1,2-benzenediamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)SC2=CC(=C(C=C2)N)N
• Uses: 4-(Phenylthio)-1,2-benzenediamine is used in the synthesis of bis(2-chloroethyl)aminophosphoryl-containing compounds which are potential anticancer agents. It is also used in the synthesis of 2-substituted-2,3-dihyrdro-5-thiophenoxy-1H-1,3,2-benzodiazaphosphole 2-oxides which exhibit antimicrobial activity.

Technology Process of 4-(Phenylthio)benzene-1,2-diamine

There total 16 articles about 4-(Phenylthio)benzene-1,2-diamine 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: 99.14%

2-nitro-4-(phenylthio)aniline (92114-64-2) → 1,2-diamino-4-phenylthiobenzene (43156-48-5)

Guidance literature:

With hydrogen; nickel; In toluene; at 60 ℃; for 1h; under 22502.3 Torr; Autoclave;

Reference yield: 98.97%

2-nitro-5-phenylthioaniline (43156-47-4) → 1,2-diamino-4-phenylthiobenzene (43156-48-5)

Guidance literature:

With hydrogen; In toluene; at 80 ℃; for 2h; under 22502.3 Torr; Autoclave;

Reference yield:

2-nitro-5-phenylthioaniline (43156-47-4) + N-(5-chloro-2-nitrophenyl)acetamide (5443-33-4) → 1,2-diamino-4-phenylthiobenzene (43156-48-5)

Guidance literature:

With stannous chloride; sodium; potassium hydrogencarbonate; In hydrogenchloride; chloroform;

upstream raw materials:

2-nitro-5-phenylthioaniline

5-chloro-2-nitroaniline

thiophenol

N-(5-chloro-2-nitrophenyl)acetamide

Downstream raw materials:

4-Phenylthio-N,N'-bis-(N-diethoxyphosphoryl-thiocarbamoyl)-1,2-phenylendiamin

5-(phenylthio)-1H-benzo[d]imidazol-2-amine

Fenbendazole

fenbendazole

Refernces

• 1、 -. "Fenbendazole production process and production device". Paragraph 0027; 0035-0036; 0039; 0045-0046; 0049; 0056-0057;. . Retrieved 2021/01/24.
• 2、 -. "A preparation method of a dog or CAT". Paragraph 0012; 0028; 0037-0038. . Retrieved 2019/03/29.