4,5,6,7-Tetrahydro-2-methylbenzothiazole-5-methyl p-tolylsulphonate

Base Information

Chemical Name:4,5,6,7-Tetrahydro-2-methylbenzothiazole-5-methyl p-tolylsulphonate
CAS No.:77528-66-6
Molecular Formula:C16H19NO3S2
Molecular Weight:337.464
Hs Code.:
European Community (EC) Number:278-712-8
DSSTox Substance ID:DTXSID30998729
Nikkaji Number:J309.407C

Synonyms:EINECS 278-712-8;77528-66-6;4,5,6,7-Tetrahydro-2-methylbenzothiazole-5-methyl p-tolylsulphonate;DTXSID30998729;ZNYAYVDQWPROFY-UHFFFAOYSA-N;2-Methyl-5-tosyloxymethyl-4,5,6,7-tetrahydrobenzo[d]thiazole;(2-Methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methyl 4-methylbenzene-1-sulfonate;4,5,6,7-Tetrahydro-2-methyl-5-benzothiazolemethanol 4-methylbenzenesulfonate

Suppliers and Price of 4,5,6,7-Tetrahydro-2-methylbenzothiazole-5-methyl p-tolylsulphonate

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 4,5,6,7-Tetrahydro-2-methylbenzothiazole-5-methyl p-tolylsulphonate

Chemical Property:

Vapor Pressure:9.76E-10mmHg at 25°C
Boiling Point:502.6°C at 760 mmHg
Flash Point:257.8°C
Density:1.272g/cm³
XLogP3:3.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:337.08063582
Heavy Atom Count:22
Complexity:468

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=C(C=C1)S(=O)(=O)OCC2CCC3=C(C2)N=C(S3)C

Technology Process of 4,5,6,7-Tetrahydro-2-methylbenzothiazole-5-methyl p-tolylsulphonate

There total 7 articles about 4,5,6,7-Tetrahydro-2-methylbenzothiazole-5-methyl p-tolylsulphonate 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: 75.0%

: 103057-51-8
hypochlorous acid 4-methylbenzene sulfonic anhydride

: 77528-65-5
methyl-2 N hydroxymethyl-5 tetrahydro-4,5,6,7 benzothiazole

: 77528-66-6
methyl-2 tosyloxymethyl-5 tetrahydro-4,5,6,7 benzothiazole

Guidance literature:: In pyridine; for 16h;

Reference yield: 74.0%

: 77528-66-6
methyl-2 tosyloxymethyl-5 tetrahydro-4,5,6,7 benzothiazole

Guidance literature:

Reference yield:

: 7781-98-8
ethyl-3-hydroxybenzoate

: 77528-66-6
methyl-2 tosyloxymethyl-5 tetrahydro-4,5,6,7 benzothiazole

Guidance literature:: Multi-step reaction with 6 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

5: 95 percent / LiAlH₄ / diethyl ether / 35 h / Ambient temperature

6: 75 percent / pyridine / 16 h

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