N-(2-Amino-4,5,6,7-tetrahydro-6-benzothiazolyl)acetamide Hydrobromide

Base Information

• Chemical Name: N-(2-Amino-4,5,6,7-tetrahydro-6-benzothiazolyl)acetamide Hydrobromide
• CAS No.: 104617-50-7
• Molecular Formula: C9H13N3OS.BrH
• Molecular Weight: 292.2
• European Community (EC) Number: 600-588-4
• DSSTox Substance ID: DTXSID60893652
• Mol file: 104617-50-7.mol

Synonyms:104617-50-7;N-(2-Amino-4,5,6,7-tetrahydrobenzo[d]thiazol-6-yl)acetamide hydrobromide;N-(2-Amino-4,5,6,7-tetrahydro-6-benzothiazolyl)acetamide Hydrobromide;N-(2-Amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)acetamide hydrobromide;N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)acetamide;hydrobromide;CID 13670691;XDWSUEPXEWCNIX-UHFFFAOYSA-N;EC 600-588-4;SCHEMBL1234856;DTXSID60893652;6-acetylamino-2-amino-4,5,6,7-tetrahydro-benzthiazole-hydrobromide;AKOS027447931;N-(2-Methyl-4,5,6,7-tetrahydro-benzothiazol-6-yl)-acetamide hydrobromide;NS00078067;J-001206;N-(2-Amino-4,5,6,7-tetrahydrobenzo[d]thiazol-6-yl)acetamidehydrobromide;N-(2-Amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)acetamide hydrobromide (1:1)

Chemical Property of N-(2-Amino-4,5,6,7-tetrahydro-6-benzothiazolyl)acetamide Hydrobromide

Chemical Property:

• PSA: 96.25000
• LogP: 2.64890
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 291.00410
• Heavy Atom Count: 15
• Complexity: 236

Purity/Quality:

99.9% ^*data from raw suppliers

N-(2-Amino-4,5,6,7-tetrahydro-6-benzothiazolyl)acetamideHydrobromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1CCC2=C(C1)SC(=N2)N.Br
• Uses: N-(2-Amino-4,5,6,7-tetrahydro-6-benzothiazolyl)acetamide Hydrobromide is an analogue hydrobromide salt of (S)-N-(2-Amino-4,5,6,7-tetrahydrobenzo[d]thiazol-6-yl)acetamide (A618835), an intermediate in the synthesis of Pramipexole (P700755), a dopamine-D2-receptor agonist and antiparkinsonian.

Technology Process of N-(2-Amino-4,5,6,7-tetrahydro-6-benzothiazolyl)acetamide Hydrobromide

There total 3 articles about N-(2-Amino-4,5,6,7-tetrahydro-6-benzothiazolyl)acetamide Hydrobromide 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:

N-(4-oxocyclohexyl)acetamide (27514-08-5) → N-(2-amino-4,5,6,7-tetrahydrobenzo[d]thiazol-6-yl)acetamide hydrobromide (104617-50-7)

Guidance literature:

With bromine; thiourea; In acetic acid;

Reference yield:

thiourea (17356-08-0) + 2-bromo-4-acetamidocyclohexanone (687639-03-8) → N-(2-amino-4,5,6,7-tetrahydrobenzo[d]thiazol-6-yl)acetamide hydrobromide (104617-50-7)

Guidance literature:

In water; at 80 ℃;

Reference yield:

N-(4-oxocyclohexyl)acetamide (27514-08-5) + thiourea (17356-08-0) → N-(2-amino-4,5,6,7-tetrahydrobenzo[d]thiazol-6-yl)acetamide hydrobromide (104617-50-7)

Guidance literature:

N-(4-oxocyclohexyl)acetamide; With bromine; acetic acid; at 25 - 35 ℃; for 0.75h;

thiourea; for 3h; Product distribution / selectivity; Reflux;

upstream raw materials:

thiourea

2-bromo-4-acetamidocyclohexanone

N-(4-oxocyclohexyl)acetamide

Downstream raw materials:

2,6-diamino-4,5,6,7-tetrahydro-benzthiazole

pramipexole

pramipexole dihydrochloride

(S)-4,5,6,7-tetrahydrobenzo[d]thiazol-2,6-diamine