1,1-Dimethylethyl 4-[[(2-bromophenyl)thio]methyl]-3,6-dihydro-1(2H)-pyridinecarboxylate

Base Information

Chemical Name:1,1-Dimethylethyl 4-[[(2-bromophenyl)thio]methyl]-3,6-dihydro-1(2H)-pyridinecarboxylate
CAS No.:159635-24-2
Molecular Formula:C₁₇H₂₂BrNO₂S
Molecular Weight:384.337
Hs Code.:
DSSTox Substance ID:DTXSID201125528
Nikkaji Number:J746.718D

Synonyms:159635-24-2;1,1-Dimethylethyl 4-[[(2-bromophenyl)thio]methyl]-3,6-dihydro-1(2H)-pyridinecarboxylate;SCHEMBL2108997;DTXSID201125528;DB-373771

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

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Chemical Property of 1,1-Dimethylethyl 4-[[(2-bromophenyl)thio]methyl]-3,6-dihydro-1(2H)-pyridinecarboxylate

Chemical Property:

XLogP3:4.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:383.05546
Heavy Atom Count:22
Complexity:419

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)(C)OC(=O)N1CCC(=CC1)CSC2=CC=CC=C2Br

Technology Process of 1,1-Dimethylethyl 4-[[(2-bromophenyl)thio]methyl]-3,6-dihydro-1(2H)-pyridinecarboxylate

There total 4 articles about 1,1-Dimethylethyl 4-[[(2-bromophenyl)thio]methyl]-3,6-dihydro-1(2H)-pyridinecarboxylate 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: 93.0%

: 6320-02-1
o-bromothiophenol

: 159635-23-1
tert-butyl 4-(chloromethyl)-5,6-dihydropyridine-1(2H)-carboxylate

: 159635-24-2
4-(2-bromo-phenylsulfanylmethyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester

Guidance literature:: With potassium carbonate; In acetone; for 18h; Reflux; Inert atmosphere;

Reference yield: 84.0%

: 159635-24-2
4-(2-bromo-phenylsulfanylmethyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester

Guidance literature:

Reference yield:

: 159635-49-1
tert-butyl 4-methylidenepiperidine-1-carboxylate

: 159635-24-2
4-(2-bromo-phenylsulfanylmethyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester

Guidance literature:: Multi-step reaction with 3 steps

1: 52 percent / 5percent SeO₂/SiO₂, t-BuOOH / Ambient temperature

2: 98 percent / thionyl chloride, 2,6-lutidine / toluene / 2 h / 35 °C

3: 75 percent / K₂CO₃ / acetone / 60 °C

With 2,6-dimethylpyridine; tert.-butylhydroperoxide; selenium(IV) oxide; thionyl chloride; silica gel; potassium carbonate; In acetone; toluene;
DOI:10.1016/0040-4039(96)01072-6