23051-16-3

Basic information

• Product Name: 1-(4-ETHOXYCARBONYLPHENYL)-2-THIOUREA
• Synonyms: 1-(4-ETHOXYCARBONYLPHENYL)-2-THIOUREA;Benzoic acid, 4-[(aMinothioxoMethyl)aMino]-, ethyl ester;Ethyl4-thioureidobenzoate
• CAS NO: 23051-16-3
• Molecular Formula: C₁₀H₁₂N₂O₂S
• Molecular Weight: 224.28
• Mol File: 23051-16-3.mol
• Article Data: 4

Chemical Properties

• Melting Point: 157-159°C
• Boiling Point: 361°Cat760mmHg
• Flash Point: 172.1°C
• Appearance: /
• Density: 1.304g/cm³
• Vapor Pressure: 2.14E-05mmHg at 25°C
• Refractive Index: 1.654
• PKA: 12.51±0.70(Predicted)
• CAS DataBase Reference: 1-(4-ETHOXYCARBONYLPHENYL)-2-THIOUREA(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(4-ETHOXYCARBONYLPHENYL)-2-THIOUREA(23051-16-3)
• EPA Substance Registry System: 1-(4-ETHOXYCARBONYLPHENYL)-2-THIOUREA(23051-16-3)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38-43
• Safety Statements: 26-36/37/39-36/37
• HazardClass: IRRITANT
• Hazardous Substances Data: 23051-16-3(Hazardous Substances Data)

Usage

General Description

1-(4-Ethoxycarbonylphenyl)-2-thiourea is a chemical compound with a molecular formula of C11H14N2O2S. It is an organothiourethane derivative with a thiourea functional group and a phenyl ring substituted with an ethoxycarbonyl group. 1-(4-ETHOXYCARBONYLPHENYL)-2-THIOUREA has potential applications in the field of medicinal chemistry, particularly as an antidiabetic agent and in the treatment of other metabolic disorders. It may also have uses as a biochemical tool in research and development. As a thiourea derivative, it possesses unique properties that make it a valuable building block for the synthesis of other organic compounds with diverse applications. Overall, 1-(4-ethoxycarbonylphenyl)-2-thiourea is a versatile chemical that has the potential for various industrial and pharmaceutical uses.

InChI:InChI=1/C10H12N2O2S/c1-2-14-9(13)7-3-5-8(6-4-7)12-10(11)15/h3-6H,2H2,1H3,(H3,11,12,15)

Upstream product

• 94-09-7 p-aminoethylbenzoate 
• 150-13-0 4-amino-benzoic acid 
• 1147550-11-5 ammonium thiocyanate 
• 23239-88-5 benzocaine hydrochloride 
• 69165-46-4 ethyl 4-(3-benzoylthioureido)benzoate 
• 1205-06-7 4-ethoxycarbonylphenyl isothiocyanate 

Downstream Products

• 93-85-6 2-aminobenzothiazole-6-carboxylic acid 
• 540737-48-2 ethyl 4-((4-(4-nitrophenyl)-2-thiazolyl)amino)benzoate hydrobromide 
• 1095720-45-8 ethyl 4-(4-(imidazo[1,2-a]pyridin-3-yl)-5-methylthiazol-2-ylamino)benzoate 
• 1095720-40-3 ethyl 4-(4-(7-methoxy-2-methyl-imidazo[1,2-a]pyridin-3-yl)thiazol-2-ylamino)benzoate 
• 420125-06-0 ethyl 4-(4-(6-(trifluoromethyl)-2-methyl-imidazo[1,2-a]pyridin-3-yl)thiazol-2-ylamino)benzoate 
• 420125-11-7 C₂₀H₁₇ClN₄O₂S 
• 420125-00-4 ethyl 4-(5-methyl-4-(2-methyl-imidazo[1,2-a]pyridin-3-yl)thiazol-2-ylamino)benzoate 
• 420126-44-9 ethyl 4-(4-(imidazo[1,2-a]pyridin-3-yl)thiazol-2-ylamino)benzoate 
• 420124-50-1 C₂₀H₁₈N₄O₂S 
• 280754-15-6 ethyl 4-(thiazol-2-ylamino)benzoate 
• 17823-28-8 2-(4-ethoxycarbonyl-phenylimino)-thiazolidin-4-one 
• 960324-91-8 4-(4-ethylthiazol-2-ylamino)-benzoic acid ethyl ester 
• 210963-81-8 4-(4,5-dihydro-1H-imidazol-2-ylamino)benzoic acid ethyl ester 
• 116433-44-4 C₃₆H₃₆N₆O₈S₃ 

Relevant articles and documents

Synthesis and antitumor evaluation of 5-(benzo[: D] [1,3]dioxol-5-ylmethyl)-4-(tert -butyl)- N -arylthiazol-2-amines

A series of novel N-aryl-5-(benzo[d][1,3]dioxol-5-ylmethyl)-4-(tert-butyl)thiazol-2-amines (C1-C31) were synthesized and evaluated for their antitumor activities against HeLa, A549 and MCF-7 cell lines. Some tested compounds showed potent growth inhibition properties with IC50 values generally below 5 μM against the three human cancer cells lines. Compound C27 showed potent activities against HeLa and A549 cell lines with IC50 values of 2.07 ± 0.88 μM and 3.52 ± 0.49 μM, respectively. Compound C7 (IC50 = 2.06 ± 0.09 μM) was the most active compound against A549 cell line, while compound C16 (IC50 = 2.55 ± 0.34 μM) showed the best inhibitory activity against the MCF-7 cell line. The preliminary mechanism of the inhibitory effect was investigated via further experiments, such as morphological analysis by dual AO/EB staining and Hoechst 33342 staining, and cell apoptosis and cycle assessment by FACS analysis. The results illustrated that compound C27 could induce apoptosis and cause both S-phase and G2/M-phase arrests in HeLa cell line. Therefore, compound C27 could be developed as a potential antitumor agent.

Hydrogen bond controlled aggregation of guanidinium-carboxylate derivatives in the solid state

In this paper, we report the synthesis and aggregation properties of new self-complementary organic molecules containing guanidinium and carboxylate groups. The crystal structures of the guanidinium carboxylates showed linear bidentate hydrogen bonding between the guanidinium and the carboxylate groups. In the case of phenyl derivative 7, steric factors force a non-planar geometry for the hydrogen bonding subunit. Substitution of the phenyl by a pyridine leads to the formation of an intramolecular hydrogen bond and a planar conformation for the subunit. As a result, the simple intramolecularly hydrogen bonded molecule maintains a rigid control of binding group disposition in a manner similar to more complex multiple fused ring systems.