Carbamic acid, (2-benzothiazolylthio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester

Base Information

• Chemical Name: Carbamic acid, (2-benzothiazolylthio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester
• CAS No.: 50539-79-2
• Molecular Formula: C19H18N2O3S2
• Molecular Weight: 386.4878
• DSSTox Substance ID: DTXSID20198559
• Wikidata: Q83071335

Synonyms:BRN 1229184;Carbamic acid, (2-benzothiazolylthio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester;(2-Benzothiazolylthio)methylcarbamic acid 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester;50539-79-2;DTXSID20198559;C19H18N2O3S2;LS-48950

Chemical Property of Carbamic acid, (2-benzothiazolylthio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.39g/cm³
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 386.07588479
• Heavy Atom Count: 26
• Complexity: 519

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CC2=C(O1)C(=CC=C2)OC(=O)NCSC3=NC4=CC=CC=C4S3)C

Technology Process of Carbamic acid, (2-benzothiazolylthio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester

There total 2 articles about Carbamic acid, (2-benzothiazolylthio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester 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:

2,3-dihydro-2,2-dimethyl-7-benzofuranol methylcarbamate (1563-66-2) + 2-Mercaptobenzothiazole (149-30-4,118090-09-8) → benzothiazol-2-ylsulfanyl-methyl-carbamic acid 2,2-dimethyl-2,3-dihydro-benzofuran-7-yl ester (50539-79-2)

Guidance literature:

With sulfuryl dichloride; In pyridine; benzene;

Reference yield:

→ benzothiazol-2-ylsulfanyl-methyl-carbamic acid 2,2-dimethyl-2,3-dihydro-benzofuran-7-yl ester (50539-79-2)

Guidance literature:

aus 2,3-Dihydro-2,2-dimethylbenzofuran-7-yl-methylcarbamat u.entspr.Sulfenylchlorid;

DOI:10.1021/jf60189a001

upstream raw materials:

2,3-dihydro-2,2-dimethyl-7-benzofuranol methylcarbamate

2-Mercaptobenzothiazole

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