3-isopropyl-2-mercaptoquinazolin-4(3H)-one

Base Information

Chemical Name:3-isopropyl-2-mercaptoquinazolin-4(3H)-one
CAS No.:21038-90-4
Molecular Formula:C11H12N2OS
Molecular Weight:220.295
Hs Code.:
European Community (EC) Number:653-764-8
NSC Number:150544
DSSTox Substance ID:DTXSID40368616
ChEMBL ID:CHEMBL1418505

Synonyms:21038-90-4;3-isopropyl-2-mercaptoquinazolin-4(3H)-one;3-Isopropyl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one;3-propan-2-yl-2-sulfanylidene-1H-quinazolin-4-one;3-(propan-2-yl)-2-sulfanyl-3,4-dihydroquinazolin-4-one;NSC150544;ChemDiv3_012989;MLS000565571;CHEMBL1418505;DTXSID40368616;HMS1509O09;HMS2437C09;AKOS001061230;AKOS005198702;NSC-150544;SMR000152711;3-isopropyl-2-sulfanyl-4(3H)-quinazolinone;CS-0221082;EU-0061625;EN300-08308;SR-01000562481;J-013783;SR-01000562481-1;BRD-K90912653-001-01-0;Z55928789;2,3-dihydro-3-isopropyl-2-thioxoquinazolin-4(1h)-one;3-isopropyl-2-thioxo-2,3-dihydro-4(1H)-quinazolinone;2,3-Dihydro-3-(1-methylethyl)-2-thioxo-4(1H)-quinazolinone;3-(propan-2-yl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one

Suppliers and Price of 3-isopropyl-2-mercaptoquinazolin-4(3H)-one

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 6 raw suppliers

Chemical Property of 3-isopropyl-2-mercaptoquinazolin-4(3H)-one

Chemical Property:

Vapor Pressure:7.59E-05mmHg at 25°C
Boiling Point:342.3°Cat760mmHg
Flash Point:160.8°C
Density:1.29g/cm³
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:220.06703418
Heavy Atom Count:15
Complexity:290

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)N1C(=O)C2=CC=CC=C2NC1=S

Technology Process of 3-isopropyl-2-mercaptoquinazolin-4(3H)-one

There total 8 articles about 3-isopropyl-2-mercaptoquinazolin-4(3H)-one 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: 84.0%

: 5943-91-9
3-isopropylquinazoline-2,4(1H,3H)-dione

: 21038-90-4
2,3‐dihydro‐3‐isopropyl‐2‐thioxoquinazolin‐4(1H)‐one

Guidance literature:: With carbon disulfide; potassium hydroxide; In ethanol; for 3h; Reflux;
DOI:10.1016/j.molstruc.2021.132283

Reference yield: 75.0%

: 2253-73-8
isopropyl isothiocyanate

: 610-94-6
2-bromobenzoic acid methyl ester

: 21038-90-4
2,3‐dihydro‐3‐isopropyl‐2‐thioxoquinazolin‐4(1H)‐one

Guidance literature:: 2-bromobenzoic acid methyl ester; With sodium azide; potassium carbonate; L-proline; copper(I) bromide; In dimethyl sulfoxide; at 85 ℃; for 3h;

isopropyl isothiocyanate; In dimethyl sulfoxide; at 85 ℃; for 4h;
DOI:10.1002/aoc.4635

Reference yield: 70.0%

: 118-48-9
isatoic anhydride

: 333-20-0
potassium thioacyanate

: 75-31-0
isopropylamine

: 21038-90-4
2,3‐dihydro‐3‐isopropyl‐2‐thioxoquinazolin‐4(1H)‐one

Guidance literature:: isatoic anhydride; isopropylamine; In water; at 20 ℃; for 1h; Green chemistry;

potassium thioacyanate; With acetic acid; In water; for 3h; Heating; Green chemistry;
DOI:10.1080/17415993.2017.1325891