Thiohomophtalimide

Base Information

• Chemical Name: Thiohomophtalimide
• CAS No.: 938-38-5
• Molecular Formula: C9H7 N O S
• Molecular Weight: 177.227
• Hs Code.: 2933790090
• Mol file: 938-38-5.mol

Synonyms:1,3(2H,4H)-Isoquinolinedione,1-thio- (6CI,7CI,8CI)

Chemical Property of Thiohomophtalimide

Chemical Property:

• Melting Point: 221-222 °C
• PSA: 61.19000
• Density: 1.35±0.1 g/cm3 (20 °C, 760 mmHg)
• LogP: 1.36320

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Thiohomophtalimide

There total 3 articles about Thiohomophtalimide 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: 58.0%

2-phenylacetyl isothiocyanate (29313-32-4) → 1-thioxo-1,4-dihydro-2H-isoquinolin-3-one (938-38-5)

Guidance literature:

2-phenylacetyl isothiocyanate; With aluminum (III) chloride; In 1,1,2,2-tetrachloroethane; at 0 - 95 ℃; for 1.16667h;

With hydrogenchloride; water; In 1,1,2,2-tetrachloroethane; at 20 ℃;

Reference yield:

phenylacetyl chloride (103-80-0) → 1-thioxo-1,4-dihydro-2H-isoquinolin-3-one (938-38-5)

Guidance literature:

Multi-step reaction with 2 steps

1: lead(II) thiocyanate / toluene / 18 h / 85 °C

2: aluminum (III) chloride / 1,1,2,2-tetrachloroethane / 1 h / 0 - 95 °C / Inert atmosphere

With aluminum (III) chloride; lead(II) thiocyanate; In toluene; 1,1,2,2-tetrachloroethane;

Reference yield:

→ 1-thioxo-1,4-dihydro-2H-isoquinolin-3-one (938-38-5)

Guidance literature:

Phenylacetylisothiocyanat, Aluminiumchlorid, in sd. CS2;

DOI:10.1021/ja01502a085

upstream raw materials:

2-phenylacetyl isothiocyanate

phenylacetyl chloride

Downstream raw materials:

1-(2-chlorobenzylsulfanyl)isoquinolin-3-ol

Refernces

• 1、 -. "PYRIDONE/HYDROXYPYRIDINE 11-BETA HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORS". Page/Page column 73. . Retrieved 2008/06/13.