4-(1,3-Benzothiazol-2-ylmethyl)aniline

Base Information

• Chemical Name: 4-(1,3-Benzothiazol-2-ylmethyl)aniline
• CAS No.: 37859-28-2
• Molecular Formula: C14H12N2S
• Molecular Weight: 240.329
• Hs Code.: 2934200090
• DSSTox Substance ID: DTXSID00395004
• Wikidata: Q82194762
• Mol file: 37859-28-2.mol

Synonyms:4-(1,3-benzothiazol-2-ylmethyl)aniline;37859-28-2;4-(Benzo[d]thiazol-2-ylmethyl)aniline;4-[(1,3-benzothiazol-2-yl)methyl]aniline;Triethylorthoacrylate;SCHEMBL4726116;DTXSID00395004;HMS1728K02;MFCD03773367;STL119876;AKOS000201585;BB 0253262;CS-0221639;EN300-09657;A912851;J-513194;Z56347033

Chemical Property of 4-(1,3-Benzothiazol-2-ylmethyl)aniline

Chemical Property:

• Vapor Pressure: 6.16E-08mmHg at 25°C
• Boiling Point: 439.9°Cat760mmHg
• Flash Point: 219.8°C
• PSA: 67.15000
• Density: 1.278g/cm³
• LogP: 4.05050
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 240.07211956
• Heavy Atom Count: 17
• Complexity: 251

Purity/Quality:

97% ^*data from raw suppliers

4-(1,3-Benzothiazol-2-ylmethyl)aniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-(1,3-Benzothiazol-2-ylmethyl)aniline

There total 3 articles about 4-(1,3-Benzothiazol-2-ylmethyl)aniline 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: 62.0%

4-aminophenylacetic acid (1197-55-3) + 2-amino-benzenethiol (137-07-5) → 4-(benzo[d]thiazol-2-ylmethyl)aniline (37859-28-2)

Guidance literature:

With polyphosphoric acid; at 220 ℃; for 4h;

DOI:10.1016/j.bmc.2013.05.028

Reference yield: 53.0%

4-amino-benzoic acid (150-13-0,159246-81-8,8014-65-1) + 2-amino-benzenethiol (137-07-5) → 4-(benzo[d]thiazol-2-ylmethyl)aniline (37859-28-2)

Guidance literature:

With polyphosphoric acid (PPA); at 220 ℃; for 4h; Reflux;

DOI:10.1039/c3dt50406a

Reference yield:

→ 4-(benzo[d]thiazol-2-ylmethyl)aniline (37859-28-2)

Guidance literature:

upstream raw materials:

4-aminophenylacetic acid

2-amino-benzenethiol

4-amino-benzoic acid

Downstream raw materials:

N-(4-(benzo[d]thiazol-2-ylmethyl)phenyl)-4-(3-hydroxy-2-methyl-4-oxopyridin-1(4H)-yl)butanamide

N-(4-(benzo[d]thiazol-2-ylmethyl)phenyl)-2-(4-(3-hydroxy-2-methyl-4-oxopyridin-1(4H)-yl)phenyl)acetamide

N-(4-(benzo[d]thiazol-2-ylmethyl)phenyl)-4-(3-(benzyloxy)-2-methyl-4-oxopyridin-1(4H)-yl)butanamide

N-(4-(benzo[d]thiazol-2-ylmethyl)phenyl)-2-(4-(3-(benzyloxy)-2-methyl-4-oxopyridin-1(4H)-yl)phenyl)acetamide