(E)-N-(1,3-benzothiazol-2-yl)-1-thiophen-2-ylmethanimine

Base Information

• Chemical Name: (E)-N-(1,3-benzothiazol-2-yl)-1-thiophen-2-ylmethanimine
• CAS No.: 73974-47-7
• Molecular Formula: C12H8 N2 S2
• Molecular Weight: 244.3353
• NSC Number: 310110
• DSSTox Substance ID: DTXSID80429735
• ChEMBL ID: CHEMBL4098039
• Mol file: 73974-47-7.mol

Synonyms:NSC310110;73974-47-7;CHEMBL4098039;DTXSID80429735;NSC-310110;N-[(E)-Thiophen-2-ylmethylidene]-1,3-benzothiazol-2-amine

Chemical Property of (E)-N-(1,3-benzothiazol-2-yl)-1-thiophen-2-ylmethanimine

Chemical Property:

• Vapor Pressure: 1.35E-06mmHg at 25°C
• Boiling Point: 411.2°C at 760 mmHg
• Flash Point: 202.5°C
• Density: 1.36g/cm³
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 244.01289061
• Heavy Atom Count: 16
• Complexity: 270

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N=C(S2)N=CC3=CC=CS3
• Isomeric SMILES: C1=CC=C2C(=C1)N=C(S2)/N=C/C3=CC=CS3

Technology Process of (E)-N-(1,3-benzothiazol-2-yl)-1-thiophen-2-ylmethanimine

There total 2 articles about (E)-N-(1,3-benzothiazol-2-yl)-1-thiophen-2-ylmethanimine 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: 72.0%

thiophene-2-carbaldehyde (98-03-3) + 2-amino-benzthiazole (136-95-8,102337-98-4,84293-42-5) → N-(benzo[d]thiazol-2-yl)-1-(thiophen-2-yl)methanimine (73974-47-7)

Guidance literature:

piperidine; In ethanol; for 3h; Heating;

Reference yield:

aniline (62-53-3) → N-(benzo[d]thiazol-2-yl)-1-(thiophen-2-yl)methanimine (73974-47-7)

Guidance literature:

Multi-step reaction with 2 steps

1.1: acetic acid / 0 °C

1.2: -3 - 0 °C

2.1: acetic acid / N,N-dimethyl-formamide / 6 h / 20 °C

With acetic acid; In N,N-dimethyl-formamide;

DOI:10.1016/j.bmc.2017.07.057

Reference yield: 99.0%

N-(benzo[d]thiazol-2-yl)-1-(thiophen-2-yl)methanimine (73974-47-7) + benzyl N-[(1E)-prop-1-en-1-yl]-carbamate (260967-14-4) → C23H21N3O2S2

Guidance literature:

With (S)-3,3'-bis(2,4,6-tri-iso-propylphenyl)-1,1'-binaphthyl-2,2'-diyl hydrogenphosphate; In 1,2-dichloro-ethane; at 50 ℃; for 24h; enantioselective reaction;

DOI:10.1039/c8sc05581e

upstream raw materials:

thiophene-2-carbaldehyde

2-amino-benzthiazole

aniline