Ethyl 2-amino-4,5,6,7-tetrahydrobenzo[d]thiazole-6-carboxylate

Base Information

• Chemical Name: Ethyl 2-amino-4,5,6,7-tetrahydrobenzo[d]thiazole-6-carboxylate
• CAS No.: 134136-00-8
• Molecular Formula: C10H14N2O2S
• Molecular Weight: 226.299
• Hs Code.: 2934200090
• European Community (EC) Number: 961-424-8
• DSSTox Substance ID: DTXSID50568201
• Mol file: 134136-00-8.mol

Synonyms:134136-00-8;Ethyl 2-amino-4,5,6,7-tetrahydrobenzo[d]thiazole-6-carboxylate;ethyl 2-amino-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylate;MFCD13195375;SEWZIOVTGXEYEZ-UHFFFAOYSA-N;2-Amino-4,5,6,7-tetrahydro-benzothiazole-6-carboxylic acid ethyl ester;SCHEMBL1030772;DTXSID50568201;2-Amino-4,5,6,7-tetrahydrobenzothiazole-6-carboxylic acid ethyl ester;6-Benzothiazolecarboxylic acid, 2-amino-4,5,6,7-tetrahydro-, ethyl ester;AKOS005258323;AS-41236;SY240242;CS-0095960;EN300-749054;A887958;AU-004/43508238;Ethyl 2-Amino-4,5,6,7-tetrahydrobenzothiazole-6-carboxylate;Ethyl 2-amino-4,5,6,7-tetrahydrobenzo[d]thiazole-6-carboxylate, 95%;Ethyl 2-amino-4,5,6,7-tetrahydrobenzo[d]thiazole-6-carboxylate, AldrichCPR

Chemical Property of Ethyl 2-amino-4,5,6,7-tetrahydrobenzo[d]thiazole-6-carboxylate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 380.873°C at 760 mmHg
• PKA: 5.40±0.40(Predicted)
• Flash Point: 184.146°C
• PSA: 93.45000
• Density: 1.29g/cm³
• LogP: 1.97450
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 226.07759887
• Heavy Atom Count: 15
• Complexity: 250

Purity/Quality:

97% ^*data from raw suppliers

Ethyl 2-amino-4,5,6,7-tetrahydrobenzo[d]thiazole-6-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1CCC2=C(C1)SC(=N2)N

Technology Process of Ethyl 2-amino-4,5,6,7-tetrahydrobenzo[d]thiazole-6-carboxylate

There total 3 articles about Ethyl 2-amino-4,5,6,7-tetrahydrobenzo[d]thiazole-6-carboxylate 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: 46.0%

ethyl 3-bromo-4-oxocyclohexanecarboxylate (39086-05-0) + thiourea (17356-08-0) → ethyl 2-amino-4,5,6,7-tetrahydrobenzo[d]thiazole-6-carboxylate (134136-00-8)

Guidance literature:

In ethanol; for 2h; Reflux;

Reference yield:

2-amino-4,5,6,7-tetrahydrobenzothiazole-6-carboxylic acid ethyl ester hydrobromide (866033-94-5) → ethyl 2-amino-4,5,6,7-tetrahydrobenzo[d]thiazole-6-carboxylate (134136-00-8)

Guidance literature:

With sodium hydrogencarbonate; In methanol; water; at 20 ℃; for 2h; pH=7 - 8; Heating / reflux;

Reference yield:

ethyl 4-oxocyclohexane-1-carboxylate (17159-79-4) → ethyl 2-amino-4,5,6,7-tetrahydrobenzo[d]thiazole-6-carboxylate (134136-00-8)

Guidance literature:

Multi-step reaction with 2 steps

1: N-Bromosuccinimide / toluene-4-sulfonic acid / toluene / 2 h / Inert atmosphere; Reflux

2: ethanol / 2 h / Reflux

With N-Bromosuccinimide; toluene-4-sulfonic acid; In ethanol; toluene;

upstream raw materials:

2-amino-4,5,6,7-tetrahydrobenzothiazole-6-carboxylic acid ethyl ester hydrobromide

ethyl 3-bromo-4-oxocyclohexanecarboxylate

thiourea

ethyl 4-oxocyclohexane-1-carboxylate

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