4-Hydroxymethyl-4,5,6,7-tetrahydro-benzo[d]thiazole

Base Information

• Chemical Name: 4-Hydroxymethyl-4,5,6,7-tetrahydro-benzo[d]thiazole
• CAS No.: 77528-47-3
• Molecular Formula: C₈H₁₁NOS
• Molecular Weight: 169.247
• European Community (EC) Number: 833-872-3
• DSSTox Substance ID: DTXSID001266966
• Nikkaji Number: J1.636.510F
• Mol file: 77528-47-3.mol

Synonyms:77528-47-3;OPITVRBXKRIOFT-UHFFFAOYSA-N;DTXSID001266966;4,5,6,7-Tetrahydro-4-benzothiazolemethanol;EN300-5213922;4-Hydroxymethyl-4,5,6,7-tetrahydro-benzo[d]thiazole

Chemical Property of 4-Hydroxymethyl-4,5,6,7-tetrahydro-benzo[d]thiazole

Chemical Property:

• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 169.05613515
• Heavy Atom Count: 11
• Complexity: 142

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CC(C2=C(C1)SC=N2)CO

Technology Process of 4-Hydroxymethyl-4,5,6,7-tetrahydro-benzo[d]thiazole

There total 1 articles about 4-Hydroxymethyl-4,5,6,7-tetrahydro-benzo[d]thiazole 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: 36.0%

ethyl 2-{[amino(imino)methyl]amino}-4,5,6,7-tetrahdyro-1,3-benzothiazole-4-carboxylate hydrobromide → 4,5,6,7-tetrahydro-1,3-benzothiazol-4-ylmethanamine (77528-47-3) + (2-amino-4,5,5,6-tetrahydrobenzo[d]thiazol-4-yl)methanol (405071-50-3) + N-(4-hydroxymethyl-4,5,6,7-tetrahydro-benzothiazol-2-yl)-guanidine (405071-61-6)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 16h;

DOI:10.1016/S0040-4039(01)01939-6

Reference yield: 72.0%

hypochlorous acid 4-methylbenzene sulfonic anhydride (103057-51-8) + 4,5,6,7-tetrahydro-1,3-benzothiazol-4-ylmethanamine (77528-47-3) → 4-Tosyloxymethyl-4,5,6,7-tetrahydrobenzo[d]thiazole (77528-48-4)

Guidance literature:

Reference yield:

4,5,6,7-tetrahydro-1,3-benzothiazol-4-ylmethanamine (77528-47-3) + p-toluenesulfonyl chloride (98-59-9) → 4-Tosyloxymethyl-4,5,6,7-tetrahydrobenzo[d]thiazole (77528-48-4)

Guidance literature:

With pyridine; at 20 ℃; for 16h;

DOI:10.1016/S0040-4039(01)01939-6

Downstream raw materials:

4-Tosyloxymethyl-4,5,6,7-tetrahydrobenzo[d]thiazole