PHENACYL THIOCYANATE

Base Information

• Chemical Name: PHENACYL THIOCYANATE
• CAS No.: 5399-30-4
• Molecular Formula: C9H7NOS
• Molecular Weight: 177.227
• Hs Code.: 2930909090
• Mol file: 5399-30-4.mol

Synonyms:Thiocyanicacid, phenacyl ester (7CI,8CI);1-Phenyl-2-thiocyanatoethanone;2-Thiocyanatoacetophenone;NSC 1346;Phenacyl rhodanide;Phenacyl thiocyanate;a-Thiocyanatoacetophenone;w-Rhodanoacetophenone;

Chemical Property of PHENACYL THIOCYANATE

Chemical Property:

• Melting Point: 74.1-74.6 °C
• Boiling Point: 331.5 °C at 760 mmHg
• Flash Point: 154.3 °C
• PSA: 66.16000
• Density: 1.223 g/cm³
• LogP: 2.08358
• Water Solubility.: 349.4mg/L(22 oC)

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-Phenyl-2-thiocyanato-ethanone ^*data from reagent suppliers

Safty Information:

• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Technology Process of PHENACYL THIOCYANATE

There total 59 articles about PHENACYL THIOCYANATE 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: 100.0%

potassium thioacyanate (333-20-0) + α-bromoacetophenone (70-11-1) → 2-oxo-2-phenylethylthiocyanate (5399-30-4)

Guidance literature:

With silica gel; In benzene; at 80 ℃; for 1.5h;

DOI:10.1016/j.tet.2006.01.075

Reference yield: 99.0%

sodium thiocyanide (540-72-7) + α-bromoacetophenone (70-11-1) → 2-oxo-2-phenylethylthiocyanate (5399-30-4)

Guidance literature:

In acetone; at 25 ℃; for 1h;

DOI:10.1002/chem.202002723

Reference yield: 99.0%

ammonium thiocyanate (1147550-11-5) + α-bromoacetophenone (70-11-1) → 2-oxo-2-phenylethylthiocyanate (5399-30-4)

Guidance literature:

ammonium thiocyanate; With montmorillonite K₁₀ clay; In acetone; at 20 ℃; for 0.666667h;

α-bromoacetophenone; at 20 ℃; for 0.00833333h; Neat (no solvent); Grinding;

DOI:10.1016/j.tetlet.2012.01.113

upstream raw materials:

2-[amino(thioxo)methyl]-5-methyl-2,3-dihydro-1H-3-pyrazolone

ethanol

1-chloroacetophenone

potassium thioacyanate

Downstream raw materials:

4-phenylthiazole-2(3H)-thione

3,4-diphenyl-2-imino-4-thiazoline

2-methoxy-4-phenylthiazole

7-methoxy-1-phenyl-thiazolo[3,2-a]quinazolin-5-one

Refernces

• 1、 Esteban, Sandra Gomez,De La Cruz, Pilar,Aljarilla, Ana,Arellano, Luis M.,Langa, Fernando. "Panchromatic Push-Pull Chromophores based on Triphenylamine as Donors for Molecular Solar Cells". . p. 5362 - 5365. Retrieved 2011.
• 2、 Chen, Wei,Li, Tingzhen,Peng, Xinwen. "Visible-light-promoted thiocyanation of sp2C-H bonds over heterogeneous graphitic carbon nitrides". supporting information. p. 14058 - 14062. Retrieved 2021/08/16.
• 3、 Li, Jin-Cheng,Gao, Wen-Xia,Liu, Miao-Chang,Zhou, Yun-Bing,Wu, Hua-Yue. "α-Selective C(sp3)-H Thio/Selenocyanation of Ketones with Elemental Chalcogen". . p. 17294 - 17306. Retrieved 2021/12/02.