4H-3,1-Benzothiazin-2-amine

Base Information

• Chemical Name: 4H-3,1-Benzothiazin-2-amine
• CAS No.: 78959-46-3
• Molecular Formula: C8H8 N2 S
• Molecular Weight: 164.2275
• NSC Number: 139660
• DSSTox Substance ID: DTXSID80300878
• Wikidata: Q82044285
• ChEMBL ID: CHEMBL3261081
• Mol file: 78959-46-3.mol

Synonyms:4H-3,1-Benzothiazin-2-amine;78959-46-3;2-Amino-4H-3,1-benzothiazine;CHEMBL3261081;4H-Benzo[d][1,3]thiazin-2-amine;NSC139660;SCHEMBL3022267;DTXSID80300878;4H-3,1-Benzothiazin-2-amine #;2-Amino-4H-benz[d]-1,3-thiazine;BDBM50012656;4h-benzo[d][1,3]thiazin-2-ylamine;AKOS006373214;NSC-139660;EN300-6769960;Z1198725303

Chemical Property of 4H-3,1-Benzothiazin-2-amine

Chemical Property:

• Vapor Pressure: 4.06E-05mmHg at 25°C
• Boiling Point: 351.6°Cat760mmHg
• Flash Point: 166.4°C
• Density: 1.36g/cm³
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 164.04081944
• Heavy Atom Count: 11
• Complexity: 179

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2=CC=CC=C2N=C(S1)N

Technology Process of 4H-3,1-Benzothiazin-2-amine

There total 12 articles about 4H-3,1-Benzothiazin-2-amine 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: 95.0%

N-(4H-benzo[d][1,3]thiazin-2-yl)benzamide → 4H-benzo[d][1,3]thiazin-2-amine (78959-46-3)

Guidance literature:

With potassium carbonate; In ethanol; at 80 ℃; for 2h;

DOI:10.1021/acs.joc.9b02384

Reference yield: 87.0%

2-(bromomethyl)phenyl isothiocyanate (108288-40-0) → 4H-benzo[d][1,3]thiazin-2-amine (78959-46-3)

Guidance literature:

With ammonia; triethylamine; In benzene; for 1.5h; Heating;

Reference yield: 70.0%

o-aminobenzyl chloride hydrochloride (88301-81-9) + thiourea (17356-08-0) → 4H-benzo[d][1,3]thiazin-2-amine (78959-46-3)

Guidance literature:

In isopropyl alcohol; Heating;

upstream raw materials:

2-nitrobenzyl thiocyanate

2-bromomethyl-aniline; hydrobromide

thiourea

1-(2-hydroxymethyl-phenyl)-4,4,6-trimethyl-3,4-dihydro-1H-pyrimidine-2-thione

Downstream raw materials:

N-(4H-3,1 benzothiazin-2-yl)-N'-(4-phenylthiophenyl)thiourea

N-(4H-3,1 benzothiazin-2-yl)-N'-(p-tolyl)-thiourea

N-(4H-3,1-benzothiazin-2-yl)-N'-(5-phenylthio-2-pyridyl)thiourea

N-(4H-3,1 benzothiazin-2-yl)-N'-(4-chlorophenyl)-thiourea