2-imino-2,3-dihydro-4H-1,3-benzothiazin-4-one

Base Information

• Chemical Name: 2-imino-2,3-dihydro-4H-1,3-benzothiazin-4-one
• CAS No.: 15601-85-1
• Molecular Formula: C8H6 N2 O S
• Molecular Weight: 178.214
• European Community (EC) Number: 855-539-1
• NSC Number: 104627
• DSSTox Substance ID: DTXSID50935353
• Nikkaji Number: J1.158.876J
• Wikidata: Q82911386
• ChEMBL ID: CHEMBL1716248
• Mol file: 15601-85-1.mol

Synonyms:15601-85-1;2-imino-2,3-dihydro-4H-1,3-benzothiazin-4-one;2-amino-1,3-benzothiazin-4-one;2-Amino-4H-benzo[e][1,3]thiazin-4-one;2-amino-4H-1,3-benzothiazin-4-one;MLS002703805;NSC104627;NCIOpen2_001989;Oprea1_573135;SCHEMBL398871;amino-1,3-benzothiazin-4-one;CHEMBL1716248;SCHEMBL11880031;DTXSID50935353;STK097737;2-Imino-2H-1,3-benzothiazin-4-ol;AKOS005396171;AKOS026727579;NSC-104627;4H-1,3-Benzothiazin-4-one, 2-amino-;SMR000793730;CS-0067860;D73546;EN300-129166;AJ-292/14596067;Z57161505

Chemical Property of 2-imino-2,3-dihydro-4H-1,3-benzothiazin-4-one

Chemical Property:

• Vapor Pressure: 2.32E-06mmHg at 25°C
• Boiling Point: 392.3°C at 760 mmHg
• Flash Point: 191.1°C
• Density: 1.51g/cm³
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 178.02008399
• Heavy Atom Count: 12
• Complexity: 239

Purity/Quality:

NLT 98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)N=C(S2)N

Technology Process of 2-imino-2,3-dihydro-4H-1,3-benzothiazin-4-one

There total 4 articles about 2-imino-2,3-dihydro-4H-1,3-benzothiazin-4-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: 71.0%

o-iodobenzamide (3930-83-4) + thiourea (17356-08-0) → 4H-2,3-dihydro-2-imino-1,3-benzothiazin-4-one (15601-85-1)

Guidance literature:

bis(triethylphosphine)nickel(II) chloride; sodium cyanoborohydride; In tetrahydrofuran; N,N-dimethyl-formamide; at 60 ℃; for 4h;

Reference yield:

CYANAMID (420-04-2) + Thiosalicylic acid (147-93-3) → 4H-2,3-dihydro-2-imino-1,3-benzothiazin-4-one (15601-85-1)

Guidance literature:

In methanol; Heating;

Reference yield:

→ 4H-2,3-dihydro-2-imino-1,3-benzothiazin-4-one (15601-85-1)

Guidance literature:

2-Thioxo-4-oxo-3,4-dihydro-2H-1,3-benzothiazin, gelb.HgO/Dioxan, - Einleiten (10 Min.) von trockenem NH3 (20grad,24 Std.);

upstream raw materials:

CYANAMID

Thiosalicylic acid

o-iodobenzamide

thiourea

Downstream raw materials:

4-chloro-N-(4-oxo-4H-1,3-benzothiazin-2-yl)benzamide

3-benzylbenzothiazine-2,4-dione

3-(2-oxo-2-phenylethyl)-3H-benzo[e][1,3]thiazine-2,4-dione

4H-2,3-dihydro-1,3-benzothiazine-2,4-dione