N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide

Base Information

• Chemical Name: N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
• CAS No.: 5524-20-9
• Molecular Formula: C₂₂H₃₄O₂
• Molecular Weight: 330.511
• DSSTox Substance ID: DTXSID90385974
• Wikidata: Q82179070
• ChEMBL ID: CHEMBL3410174
• Mol file: 5524-20-9.mol

Synonyms:N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;5524-20-9;Cambridge id 5524209;CHEMBL3410174;SCHEMBL24026375;DTXSID90385974;STK185949;AKOS000620396;WAY-312120;AB00087290-01;Z27875530

Chemical Property of N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.247g/cm³
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 210.08268425
• Heavy Atom Count: 14
• Complexity: 222

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)NC1=NC2=C(S1)CCCC2

Technology Process of N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide

There total 3 articles about N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide 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:

ent-trachyloban-19-oic acid → (-)-19-acetoxy-trachylobane (5524-20-9,73465-48-2)

Guidance literature:

Multi-step reaction with 3 steps

1: diethyl ether

2: LiAlH₄

3: pyridine

With pyridine; lithium aluminium tetrahydride; In diethyl ether;

DOI:10.1055/s-2006-957971

Reference yield:

(-)-methyl trachyloban-19-oate (17458-33-2,35688-41-6,68365-96-8,73036-63-2) → (-)-19-acetoxy-trachylobane (5524-20-9,73465-48-2)

Guidance literature:

Multi-step reaction with 2 steps

1: LiAlH₄

2: pyridine

With pyridine; lithium aluminium tetrahydride;

DOI:10.1055/s-2006-957971

Reference yield:

ent-trachyloban-19-ol (30799-74-7,59284-94-5) + acetic anhydride (108-24-7) → (-)-19-acetoxy-trachylobane (5524-20-9,73465-48-2)

Guidance literature:

With pyridine;

DOI:10.1055/s-2006-957971

upstream raw materials:

ent-trachyloban-19-ol

acetic anhydride

(-)-methyl trachyloban-19-oate