Ethyl (2-amino-4-methyl-1,3-thiazol-5-yl)acetate

Base Information

• Chemical Name: Ethyl (2-amino-4-methyl-1,3-thiazol-5-yl)acetate
• CAS No.: 78468-68-5
• Molecular Formula: C₈H₁₂N₂O₂S
• Molecular Weight: 200.261
• Hs Code.: 2934100090
• DSSTox Substance ID: DTXSID30356749
• Nikkaji Number: J2.030.803F
• Wikidata: Q82136300
• ChEMBL ID: CHEMBL1372562
• Mol file: 78468-68-5.mol

Synonyms:78468-68-5;ethyl (2-amino-4-methyl-1,3-thiazol-5-yl)acetate;ethyl 2-(2-amino-4-methyl-1,3-thiazol-5-yl)acetate;ETHYL 2-(2-AMINO-4-METHYLTHIAZOL-5-YL)ACETATE;ETHYL(2-AMINO-4-METHYL-1,3-THIAZOL-5-YL)ACETATE;Oprea1_609232;MLS000703896;CHEMBL1372562;SCHEMBL11157086;DTXSID30356749;QEZIBLVBXQCOTD-UHFFFAOYSA-N;HMS2541C13;MFCD01993833;STK424552;AKOS003271190;AB10615;BS-24356;SMR000227362;CS-0213368;FT-0752667;ethyl (2-amino-4-methylthiazol-5-yl)acetate;EN300-782061;ETHYL2-(2-AMINO-4-METHYLTHIAZOL-5-YL)ACETATE

Chemical Property of Ethyl (2-amino-4-methyl-1,3-thiazol-5-yl)acetate

Chemical Property:

• Vapor Pressure: 0.000116mmHg at 25°C
• Melting Point: 123 °C
• Boiling Point: 335.9°C at 760 mmHg
• PKA: 5.27±0.10(Predicted)
• Flash Point: 157°C
• PSA: 94.18000
• Density: 1.251g/cm³
• LogP: 1.06940
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 200.06194880
• Heavy Atom Count: 13
• Complexity: 189

Purity/Quality:

99.0% ^*data from raw suppliers

Ethyl2-(2-amino-4-methylthiazol-5-yl)acetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CC1=C(N=C(S1)N)C

Technology Process of Ethyl (2-amino-4-methyl-1,3-thiazol-5-yl)acetate

There total 2 articles about Ethyl (2-amino-4-methyl-1,3-thiazol-5-yl)acetate 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: 10.0%

4-oxopentanoic acid ethyl ester (539-88-8) + thiourea (17356-08-0) → (2-amino-4-methylthiazol-5-yl)acetic acid ethyl ester (78468-68-5) + 3-(2-aminothiazol-4-yl)propionic acid ethyl ester

Guidance literature:

With iodine; at 100 ℃; for 8h;

DOI:10.1248/cpb.52.634

Reference yield:

thiourea (17356-08-0) → (2-amino-4-methylthiazol-5-yl)acetic acid ethyl ester (78468-68-5)

Guidance literature:

With ethanol; at 20 ℃; Neutralisieren des Reaktionsprodukts mit Ammoniak;

Reference yield:

(2-amino-4-methylthiazol-5-yl)acetic acid ethyl ester (78468-68-5) + 3-nitrobenzenesulphonyl chloride (121-51-7) → [4-methyl-2-(3-nitro-benzenesulfonylamino)-thiazol-5-yl]-acetic acid ethyl ester

Guidance literature:

With pyridine;

upstream raw materials:

thiourea

4-oxopentanoic acid ethyl ester

Downstream raw materials:

{2-[(N-acetyl-sulfanilyl)-amino]-4-methyl-thiazol-5-yl}-acetic acid ethyl ester

(4-methyl-2-sulfanilylamino-thiazol-5-yl)-acetic acid

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