Benzoic acid, 4-[(2-amino-5-thiazolyl)methyl]-, ethyl ester

Base Information

• Chemical Name: Benzoic acid, 4-[(2-amino-5-thiazolyl)methyl]-, ethyl ester
• CAS No.: 105249-13-6
• Molecular Formula: C13H14N2O2S
• Molecular Weight: 262.332
• Mol file: 105249-13-6.mol

Synonyms:Benzoic acid, 4-(2-amino-5-thiazolyl)methyl-, ethyl ester;Benzoic acid,4-[(2-amino-5-thiazolyl)methyl]-,ethyl ester;

Chemical Property of Benzoic acid, 4-[(2-amino-5-thiazolyl)methyl]-, ethyl ester

Chemical Property:

• PSA: 93.45000
• LogP: 3.07400

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzoic acid, 4-[(2-amino-5-thiazolyl)methyl]-, ethyl ester

There total 2 articles about Benzoic acid, 4-[(2-amino-5-thiazolyl)methyl]-, ethyl ester 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: 100.0%

2-chloro-3-<4-(ethoxycarbonyl)phenyl>propionaldehyde (105249-12-5) + thiourea (17356-08-0) → ethyl 4-[(2-aminothiazol-5-yl)methyl]benzoate (105249-13-6)

Guidance literature:

In ethanol; 1.) 13 h, 2.) reflux, 24 h;

DOI:10.1248/cpb.36.2968

Reference yield:

p-aminoethylbenzoate (94-09-7) → ethyl 4-[(2-aminothiazol-5-yl)methyl]benzoate (105249-13-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) NaNO₂, 20percent HCl, 2.) CuCl₂, CaO / 1.) water, 0 deg C, 20 min, 2.) acetone, 5 deg C, 1.7 h

2: 100 percent / ethanol / 1.) 13 h, 2.) reflux, 24 h

With hydrogenchloride; copper dichloride; calcium oxide; sodium nitrite; In ethanol;

DOI:10.1248/cpb.36.2968

Reference yield: 68.5%

ethyl 4-[(2-aminothiazol-5-yl)methyl]benzoate (105249-13-6) → ethyl 4-(2-chlorothiazol-5-ylmethyl)benzoate (105249-14-7)

Guidance literature:

With tert.-butylnitrite; copper dichloride; In acetonitrile; at 55 - 65 ℃; for 0.333333h;

DOI:10.1248/cpb.36.2968

upstream raw materials:

2-chloro-3-<4-(ethoxycarbonyl)phenyl>propionaldehyde

thiourea

p-aminoethylbenzoate

Downstream raw materials:

ethyl 4-(2-chlorothiazol-5-ylmethyl)benzoate

4-(thiazol-5-ylmethyl)benzaldehyde

5-<4-(hydroxymethyl)benzyl>thiazole

3-<4-(thiazol-5-ylmethyl)phenyl>-2-propenoic acid