2-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1H-isoindole-1,3(2H)-dione hydrobromide

Base Information

• Chemical Name: 2-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1H-isoindole-1,3(2H)-dione hydrobromide
• CAS No.: 95914-09-3
• Molecular Formula: BrH*C₁₃H₁₁N₃O₂S
• Molecular Weight: 354.227
• Hs Code.: 2934100090
• DSSTox Substance ID: DTXSID00377289
• Mol file: 95914-09-3.mol

Synonyms:95914-09-3;2-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1H-isoindole-1,3(2H)-dione hydrobromide;2-(2-(2-Aminothiazol-4-yl)ethyl)isoindoline-1,3-dione hydrobromide;MFCD04125720;2-[2-(2-amino-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione;hydrobromide;2-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-isoindole-1,3-dione hydrobromide;SCHEMBL7435506;DTXSID00377289;IPOCGIVMVZXNBQ-UHFFFAOYSA-N;VDA91409;AKOS005070766;SB64156;CS-0330003;5X-0266;J-505413;2-(2-(2-Aminothiazol-4-yl)ethyl)isoindoline-1,3-dionehydrobromide;2-[2-(2-amino-thiazol-4-yl)-ethyl]isoindole-1,3-dione hydrobromide

Chemical Property of 2-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1H-isoindole-1,3(2H)-dione hydrobromide

Chemical Property:

• Melting Point: 266-267
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 352.98336
• Heavy Atom Count: 20
• Complexity: 366

Purity/Quality:

98%min ^*data from raw suppliers

2-[2-(2-Amino-1,3-thiazol-4-yl)ethyl]-1H-isoindole-1,3(2H)-dione hydrobromide >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CCC3=CSC(=N3)N.Br

Technology Process of 2-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1H-isoindole-1,3(2H)-dione hydrobromide

There total 6 articles about 2-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1H-isoindole-1,3(2H)-dione 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: 99.0%

2-(4-bromo-3-oxobutyl)isoindoline-1,3-dione (51132-00-4) + thiourea (17356-08-0) → 2-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1H-isoindole-1,3(2H)-dione hydrobromide (95914-09-3)

Guidance literature:

In acetone; Ambient temperature;

DOI:10.1021/jm990012z

Reference yield: 89.8%

2-(5-bromo-4-oxo-pentyl)-isoindole-1,3-dione (41306-64-3) + thiourea (17356-08-0) → 2-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1H-isoindole-1,3(2H)-dione hydrobromide (95914-09-3)

Guidance literature:

In N,N-dimethyl-formamide; at 120 ℃; for 3h;

DOI:10.1021/jm00095a021

Reference yield:

N-(3-oxobutyl)phthalimide (3783-77-5) → 2-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1H-isoindole-1,3(2H)-dione hydrobromide (95914-09-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) Br₂, 2.) 10.0M aq. H₂SO₄ / 1.) MeOH, from 0 deg C to RT, 2.) RT

2: 99 percent / acetone / Ambient temperature

With sulfuric acid; bromine; In acetone;

DOI:10.1021/jm990012z

upstream raw materials:

2-(5-bromo-4-oxo-pentyl)-isoindole-1,3-dione

thiourea

2-(4-bromo-3-oxobutyl)isoindoline-1,3-dione

phthalimide

Downstream raw materials:

N-2-<(2-acetamido-4-thiazolyl)ethyl>-3,5-diiodo-4-methoxyphenylacetamido

2-acetamido-4-(3',5'-diiodo-4'-methoxyphenylmethyl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine

N-2-<(2-amino-4-thiazolyl)ethyl>-3,5-diiodo-4-methoxyphenylacetamido

N-2-<(2-amino-4-thiazolyl)ethyl>-3,4,5-trimethoxyphenylacetamide