Benzamide, 4-amino-N-(benzothiazol-2-YL)-

Base Information

• Chemical Name: Benzamide, 4-amino-N-(benzothiazol-2-YL)-
• CAS No.: 36855-80-8
• Molecular Formula: C14H11N3OS
• Molecular Weight: 269.327
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID90190343
• Nikkaji Number: J54.639I
• Wikidata: Q83062705
• ChEMBL ID: CHEMBL1328408
• Mol file: 36855-80-8.mol

Synonyms:36855-80-8;4-Amino-N-benzothiazol-2-yl-benzamide;4-amino-N-(1,3-benzothiazol-2-yl)benzamide;BENZAMIDE, 4-AMINO-N-(BENZOTHIAZOL-2-YL)-;BRN 0999574;4-Amino-N-(benzothiazol-2-yl)benzamide;MLS000103470;4-amino-N-(benzo[d]thiazol-2-yl)benzamide;SMR000015730;C14H11N3OS;ChemDiv3_015107;Oprea1_076849;Oprea1_521663;cid_37560;SCHEMBL4917567;CHEMBL1328408;BDBM48162;DTXSID90190343;AKZCUWIRBSFXJU-UHFFFAOYSA-N;HMS1515O15;HMS2259P16;AKOS000188342;4-Amino-N-(2-benzothiazolyl)benzamide;Benzamide, 4-amino-N-2-benzothiazolyl-;LS-25362;N-(benzo[d]thiazol-2-yl)-4-aminobenzamide;N-(benzo[d]thiazol-2-yl)-4-amino-benzamide;BENZAMIDE,4-AMINO-N-2-BENZOTHIAZOLYL-;4-azanyl-N-(1,3-benzothiazol-2-yl)benzamide;EN300-235972;F1571-0001;Z295326402

Chemical Property of Benzamide, 4-amino-N-(benzothiazol-2-YL)-

Chemical Property:

• Refractive Index: 1.79
• PSA: 96.25000
• Density: 1.437 g/cm³
• LogP: 3.78500
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 269.06228316
• Heavy Atom Count: 19
• Complexity: 331

Purity/Quality:

NLT 98% ^*data from raw suppliers

4-Amino-N-benzothiazol-2-yl-benzamide 95%+ ^*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)NC(=O)C3=CC=C(C=C3)N
• Uses: 4-Amino-N-2-benzothiazolylbenzamide is useful in the synthesis of antiulcer agents.

Technology Process of Benzamide, 4-amino-N-(benzothiazol-2-YL)-

There total 4 articles about Benzamide, 4-amino-N-(benzothiazol-2-YL)- 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: 88.0%

2-amino-benzthiazole (136-95-8,102337-98-4,84293-42-5) + 4-aminobenzoyl chloride (16106-38-0) → N-(benzo[d]thiazol-2-yl)-4-amino-benzamide (36855-80-8)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 0 - 20 ℃; for 12h;

DOI:10.14233/ajchem.2021.23042

Reference yield:

2-amino-benzthiazole (136-95-8,102337-98-4,84293-42-5) → N-(benzo[d]thiazol-2-yl)-4-amino-benzamide (36855-80-8)

Guidance literature:

Multi-step reaction with 2 steps

1: Py / CHCl₃ / (heating)

2: H₂ / Pd-C / acetic acid; H₂O

With pyridine; hydrogen; palladium on activated charcoal; In chloroform; water; acetic acid;

DOI:10.1021/jm00292a019

Reference yield:

4-nitro-benzoyl chloride (122-04-3) → N-(benzo[d]thiazol-2-yl)-4-amino-benzamide (36855-80-8)

Guidance literature:

Multi-step reaction with 2 steps

1: Py / CHCl₃ / (heating)

2: H₂ / Pd-C / acetic acid; H₂O

With pyridine; hydrogen; palladium on activated charcoal; In chloroform; water; acetic acid;

DOI:10.1021/jm00292a019

upstream raw materials:

N-(benzo[d]thiazol-2-yl)-4-nitrobenzamide

2-amino-benzthiazole

4-nitro-benzoyl chloride

4-aminobenzoyl chloride

Refernces

• 1、 Williams, Noelle S.,Gonzales, Stephen,Naidoo, Jacinth,Rivera-Cancel, Giomar,Voruganti, Sukesh,Mallipeddi, Prema,Theodoropoulos, Panayotis C.,Geboers, Sophie,Chen, Hong,Ortiz, Francisco,Posner, Bruce,Nijhawan, Deepak,Ready, Joseph M.. "Tumor-Activated Benzothiazole Inhibitors of Stearoyl-CoA Desaturase". . p. 9773 - 9786. Retrieved 2020/10/19.