Ethyl 4,5,6,7-tetrahydro-2-methylbenzothiazole-5-carboxylate

Base Information

Chemical Name:Ethyl 4,5,6,7-tetrahydro-2-methylbenzothiazole-5-carboxylate
CAS No.:77528-64-4
Molecular Formula:C11H15 N O2 S
Molecular Weight:225.312
Hs Code.:2934999090
European Community (EC) Number:278-710-7
DSSTox Substance ID:DTXSID10998727
Nikkaji Number:J309.405G
Mol file:77528-64-4.mol

Synonyms:77528-64-4;EINECS 278-710-7;Ethyl 4,5,6,7-tetrahydro-2-methylbenzothiazole-5-carboxylate;ethyl 2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxylate;DTXSID10998727;KLYDWMHKPCZUCD-UHFFFAOYSA-N;4,5,6,7-Tetrahydro-2-methyl-5-benzothiazolecarboxylic acid ethyl ester;2-Methyl-5-ethoxycarbonyl-4,5,6,7-tetrahydro-benzo[d]thiazole

Suppliers and Price of Ethyl 4,5,6,7-tetrahydro-2-methylbenzothiazole-5-carboxylate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 6 raw suppliers

Chemical Property of Ethyl 4,5,6,7-tetrahydro-2-methylbenzothiazole-5-carboxylate

Chemical Property:

Vapor Pressure:0.000214mmHg at 25°C
Boiling Point:326.6°C at 760 mmHg
Flash Point:151.3°C
PSA：67.43000
Density:1.189g/cm³
LogP:2.11950
XLogP3:2.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:225.08234989
Heavy Atom Count:15
Complexity:247

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C1CCC2=C(C1)N=C(S2)C

Technology Process of Ethyl 4,5,6,7-tetrahydro-2-methylbenzothiazole-5-carboxylate

There total 8 articles about Ethyl 4,5,6,7-tetrahydro-2-methylbenzothiazole-5-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: 85.0%

: 95211-48-6
5-(3-ethoxycarbonyl-propyl)-2-methyl-thiazole-4-carboxylic acid ethyl ester

: 77528-64-4
methyl-2 ethoxycarbonyl-5 tetrahydro-4,5,6,7 benzothiazole

Guidance literature:: With diethyl ether; sodium;

Reference yield: 53.0%

: 62-55-5
thioacetamide

: 95203-29-5
bromo-4 oxo-3 cyclohexane-carboxylate d'ethyle

: 77528-64-4
methyl-2 ethoxycarbonyl-5 tetrahydro-4,5,6,7 benzothiazole

Guidance literature:: In N,N-dimethyl-formamide; for 16h; Ambient temperature;

Reference yield:

: 7781-98-8
ethyl-3-hydroxybenzoate

: 77528-64-4
methyl-2 ethoxycarbonyl-5 tetrahydro-4,5,6,7 benzothiazole

Guidance literature:: Multi-step reaction with 4 steps

1: 83 percent / H₂ / Ru/C / ethanol / 18 h / 120 °C / 75005.9 Torr

2: 93.5 percent / CrO₃, H₂SO₄ / acetone; H₂O / 5 - 10 °C

3: Br₂ / diethyl ether / 5 °C

4: 53 percent / dimethylformamide / 16 h / Ambient temperature

With chromium(VI) oxide; sulfuric acid; hydrogen; bromine; Ru-carbon; In diethyl ether; ethanol; water; N,N-dimethyl-formamide; acetone;